{ "source": "https://solvent-selector.com", "license": "CC-BY-4.0", "reviewed": "2026-07-18", "solvents": [ { "slug": "1-propanol", "name": "1-Propanol", "aka": [ "n-propanol" ], "formula": "C3H8O", "cas": "71-23-8", "uvCutoffNm": 210, "snyderP": 4, "selectivityGroup": "II", "eluotropicSilica": 0.63, "bpC": 97.2, "viscosityCp": 2, "refractiveIndex": 1.3856, "densityGmL": 0.8035, "waterMiscibility": "miscible", "polarityClass": "polar-protic", "uspClass": "Class 3", "safety": [ "highly flammable", "eye irritant (serious eye damage/irritation)", "may cause drowsiness or dizziness (CNS depressant vapors)", "not classified as carcinogen" ], "uses": "Polar protic organic modifier in reversed-phase HPLC (stronger eluting than methanol/acetonitrile); viscosity/selectivity modifier and organic phase component in normal-phase and HILIC; sample diluent; GC solvent and derivatization/esterification reagent; used where its higher elution strength allows lower organic percentages, though high viscosity raises backpressure.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "dichloroethane", "name": "1,2-Dichloroethane", "aka": [ "EDC", "DCE" ], "formula": "C2H4Cl2", "cas": "107-06-2", "uvCutoffNm": 228, "snyderP": 3.5, "selectivityGroup": "V", "eluotropicSilica": 0.3, "bpC": 83.5, "viscosityCp": 0.79, "refractiveIndex": 1.4448, "densityGmL": 1.2531, "waterMiscibility": "immiscible", "polarityClass": "low-polarity", "uspClass": "Class 1", "safety": [ "highly flammable (flash point ~13 C)", "carcinogen (IARC Group 2B; ICH Q3C Class 1)", "mutagenic/genotoxic", "acutely toxic (harmful if inhaled/swallowed)", "irritant (skin/eyes/respiratory)", "environmental/aquatic hazard" ], "uses": "Moderately polar mid-strength solvent. Historically a normal-phase HPLC and IR/GC solvent and an extraction solvent; now largely avoided in routine HPLC/GC because it is an ICH Q3C / USP <467> Class 1 carcinogen (limited to 5 ppm in drug products). UV-transparent to ~225-228 nm. Occasionally used to dissolve nonpolar/moderately polar analytes, polymers, fats and resins for GC injection or sample prep where its solvency is needed.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "dioxane", "name": "1,4-Dioxane", "aka": [ "dioxane" ], "formula": "C4H8O2", "cas": "123-91-1", "uvCutoffNm": 215, "snyderP": 4.8, "selectivityGroup": "VIa", "eluotropicSilica": 0.49, "bpC": 101.1, "viscosityCp": 1.2, "refractiveIndex": 1.4224, "densityGmL": 1.033, "waterMiscibility": "miscible", "polarityClass": "polar-aprotic", "uspClass": "Class 2", "safety": [ "highly flammable (flash point ~12 C)", "suspected/possible human carcinogen (IARC Group 2B; NTP reasonably anticipated to be a human carcinogen)", "dangerous peroxide-former on exposure to air/light - can form explosive peroxides on storage and concentration", "harmful/toxic - target organs liver and kidney; irritant to eyes and respiratory tract", "may cause drowsiness/dizziness (CNS)" ], "uses": "Polar aprotic ether solvent that is fully miscible with both water and virtually all organic solvents, so historically used as a bridging/modifier solvent in normal-phase and reversed-phase HPLC and as a versatile GC sample-injection solvent. Its moderate polarity (P' 4.8) and unusual all-round miscibility make it useful for dissolving samples spanning wide polarity ranges. Use in trace/UV work is limited by a relatively high UV cutoff, and modern use is declining sharply because of its carcinogenicity classification and strong tendency to form explosive peroxides.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "isopropanol", "name": "2-Propanol", "aka": [ "IPA", "isopropanol", "isopropyl alcohol" ], "formula": "C3H8O", "cas": "67-63-0", "uvCutoffNm": 205, "snyderP": 3.9, "selectivityGroup": "II", "eluotropicSilica": 0.6, "bpC": 82.4, "viscosityCp": 2.4, "refractiveIndex": 1.3776, "densityGmL": 0.785, "waterMiscibility": "miscible", "polarityClass": "polar-protic", "uspClass": "Class 3", "safety": [ "highly flammable (flash point ~12 C, closed cup)", "eye/respiratory/skin irritant", "CNS depressant / narcotic at high vapor concentration", "may form peroxides slowly on prolonged air exposure (secondary alcohol)", "not classified as carcinogen or reprotoxic" ], "uses": "Common HPLC/GC solvent. In HPLC: strong eluting modifier for reversed-phase and especially normal-phase separations, viscosity-lowering / column-regeneration and storage solvent, sample diluent, and a bridging (mutual) solvent to transition columns between aqueous and non-polar mobile phases because it is miscible with both water and hydrocarbons. Used in size-exclusion and ion-exchange work and as a wash solvent. Drawbacks: high viscosity raises backpressure and UV cutoff (~205-207 nm) limits low-wavelength detection. In GC: sample solvent and headspace/residual-solvent analyte (ICH Q3C / USP <467> Class 3).", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "acetic-acid", "name": "Acetic acid", "aka": [ "AcOH" ], "formula": "C2H4O2", "cas": "64-19-7", "uvCutoffNm": 230, "snyderP": 6, "selectivityGroup": "IV", "eluotropicSilica": null, "bpC": 118.1, "viscosityCp": 1.13, "refractiveIndex": 1.372, "densityGmL": 1.049, "waterMiscibility": "miscible", "polarityClass": "polar-protic", "uspClass": "Class 3", "safety": [ "flammable/combustible liquid (flash point ~39 C)", "corrosive - causes severe skin burns and eye damage", "harmful vapor / respiratory irritant", "not a carcinogen", "not a peroxide former", "not classified as reprotoxic" ], "uses": "Widely used as a volatile acidic mobile-phase modifier/additive in reversed-phase HPLC (typically 0.1-1%), to control mobile-phase pH (~3.5), suppress ionization of acidic analytes and improve peak shape; LC-MS-compatible volatile acid (though formic acid is more common). Rarely used as a bulk GC solvent because it is corrosive and causes peak tailing.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "acetone", "name": "Acetone", "aka": [ "propanone" ], "formula": "C3H6O", "cas": "67-64-1", "uvCutoffNm": 330, "snyderP": 5.1, "selectivityGroup": "VIa", "eluotropicSilica": 0.53, "bpC": 56.05, "viscosityCp": 0.32, "refractiveIndex": 1.3588, "densityGmL": 0.791, "waterMiscibility": "miscible", "polarityClass": "polar-aprotic", "uspClass": "Class 3", "safety": [ "highly flammable (flash point ~ -20 C)", "eye/skin/respiratory irritant", "low acute toxicity (CNS depressant at high vapor concentration)", "not a carcinogen (not IARC/OSHA listed)", "not a known peroxide-former", "not classified reprotoxic" ], "uses": "Common HPLC/GC and general lab solvent. In HPLC used as a strong (high elution strength) reversed-phase organic modifier and a normal-phase/prep eluent, and widely as a wash/rinse/diluent solvent; its very high UV cutoff (~330 nm) makes it unsuitable for low-wavelength UV detection (better suited to MS, ELSD, or CAD detection). In GC it is a frequent injection/dilution solvent and headspace/residual-solvent analyte. Also a common cleaning solvent for glassware and instruments.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "acetonitrile", "name": "Acetonitrile", "aka": [ "ACN", "MeCN" ], "formula": "C2H3N", "cas": "75-05-8", "uvCutoffNm": 190, "snyderP": 5.8, "selectivityGroup": "VIb", "eluotropicSilica": 0.52, "bpC": 81.6, "viscosityCp": 0.37, "refractiveIndex": 1.3441, "densityGmL": 0.782, "waterMiscibility": "miscible", "polarityClass": "polar-aprotic", "uspClass": "Class 2", "safety": [ "highly flammable (flash point ~2-6 C, closed cup)", "acutely toxic - metabolized to cyanide (hydrogen cyanide) in vivo", "harmful if swallowed, inhaled, or absorbed through skin", "serious eye irritant", "vapor forms explosive mixtures with air" ], "uses": "Primary organic modifier in reversed-phase HPLC/UHPLC mobile phases (offers different, often better selectivity vs methanol; low viscosity gives lower backpressure; very low UV cutoff ~190 nm enables low-wavelength UV detection). Standard strong solvent in gradient RP-LC and LC-MS (volatile, MS-compatible). Widely used for sample dilution/reconstitution, protein precipitation in bioanalysis, and as a diluent; also a GC solvent and extraction solvent (immiscible with alkanes allows ACN/hexane defatting partitions).", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "benzene", "name": "Benzene", "aka": [], "formula": "C6H6", "cas": "71-43-2", "uvCutoffNm": 280, "snyderP": 2.7, "selectivityGroup": "VII", "eluotropicSilica": 0.25, "bpC": 80.1, "viscosityCp": 0.6, "refractiveIndex": 1.5011, "densityGmL": 0.8765, "waterMiscibility": "immiscible", "polarityClass": "low-polarity", "uspClass": "Class 1", "safety": [ "flammable", "carcinogen (IARC Group 1, human)", "toxic", "reprotoxic (suspected)", "aspiration hazard", "CNS depressant / hematotoxic (bone marrow, leukemia)" ], "uses": "Aromatic nonpolar solvent; historically a normal-phase (adsorption) HPLC mobile-phase component and a GC sample/diluent solvent, and the apex reference for Snyder selectivity group VII in the solvent-selectivity triangle. Its high UV cutoff (~280 nm) makes it unsuitable for UV detection. Now almost entirely avoided/banned in analytical labs and pharma processes because it is a Class 1 (avoid) residual solvent and a confirmed human carcinogen; usually replaced by toluene where an aromatic solvent is needed.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "carbon-tetrachloride", "name": "Carbon tetrachloride", "aka": [ "CCl4" ], "formula": "CCl4", "cas": "56-23-5", "uvCutoffNm": 263, "snyderP": 1.6, "selectivityGroup": null, "eluotropicSilica": 0.11, "bpC": 76.7, "viscosityCp": 0.97, "refractiveIndex": 1.4601, "densityGmL": 1.594, "waterMiscibility": "immiscible", "polarityClass": "low-polarity", "uspClass": "Class 1", "safety": [ "carcinogen (IARC Group 2B)", "hepatotoxic / target-organ toxicant (liver, kidney)", "acutely toxic (oral/inhalation/dermal)", "reprotoxic (suspected)", "CNS depressant", "ozone-depleting substance (Montreal Protocol, banned/phased out)", "non-flammable", "environmental hazard" ], "uses": "Historically a low-polarity normal-phase mobile-phase component and a transparent solvent for IR and 1H-NMR spectroscopy (no C-H protons); occasional GC solvent. Now essentially obsolete in modern HPLC/GC labs due to high toxicity, carcinogenicity, and its ban as an ozone-depleting substance; retained only as a reference-data entry.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "chloroform", "name": "Chloroform", "aka": [ "trichloromethane" ], "formula": "CHCl3", "cas": "67-66-3", "uvCutoffNm": 245, "snyderP": 4.1, "selectivityGroup": "VIII", "eluotropicSilica": 0.26, "bpC": 61.2, "viscosityCp": 0.57, "refractiveIndex": 1.4458, "densityGmL": 1.489, "waterMiscibility": "immiscible", "polarityClass": "low-polarity", "uspClass": "Class 2", "safety": [ "suspected human carcinogen (IARC Group 2B)", "acutely toxic - hepatotoxic and nephrotoxic", "CNS depressant / anesthetic", "reprotoxic (suspected)", "forms toxic phosgene on exposure to light/air/oxidation", "NOT flammable (nonflammable liquid)", "harmful vapor - use in fume hood" ], "uses": "Normal-phase HPLC eluent (mid-polarity modifier) and strong component in silica eluotropic series; GC solvent and extraction/dilution solvent for pesticide-residue and spectrophotometric work; common NMR/sample-prep and lipid/nonpolar-analyte extraction solvent. Limited in UV-HPLC below ~245 nm due to high UV cutoff; usually stabilized with ethanol or amylene.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "cyclohexane", "name": "Cyclohexane", "aka": [], "formula": "C6H12", "cas": "110-82-7", "uvCutoffNm": 200, "snyderP": 0.2, "selectivityGroup": null, "eluotropicSilica": 0.03, "bpC": 80.7, "viscosityCp": 1, "refractiveIndex": 1.4262, "densityGmL": 0.779, "waterMiscibility": "immiscible", "polarityClass": "nonpolar", "uspClass": "Class 2", "safety": [ "highly flammable liquid and vapor", "aspiration hazard (may be fatal if swallowed and enters airways)", "skin/eye irritant", "CNS depressant (drowsiness/dizziness on inhalation)", "very toxic to aquatic life (environmental hazard)", "not classified as carcinogen", "not a peroxide-former", "not reprotoxic" ], "uses": "Nonpolar mobile-phase solvent in normal-phase HPLC and adsorption chromatography; low-toxicity alternative to n-hexane/heptane as a weak (low eluotropic strength) NP eluent; sample diluent for hydrocarbon and lipophilic analytes; UV-transparent solvent for UV/Vis spectrophotometry (transparent to ~200 nm); GC diluent and extraction solvent for nonpolar compounds.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "dichloromethane", "name": "Dichloromethane", "aka": [ "DCM", "methylene chloride" ], "formula": "CH2Cl2", "cas": "75-09-2", "uvCutoffNm": 233, "snyderP": 3.1, "selectivityGroup": "V", "eluotropicSilica": 0.3, "bpC": 39.8, "viscosityCp": 0.44, "refractiveIndex": 1.4242, "densityGmL": 1.325, "waterMiscibility": "immiscible", "polarityClass": "low-polarity", "uspClass": "Class 2", "safety": [ "suspected human carcinogen (IARC Group 2A / NTP reasonably anticipated)", "acutely toxic - CNS depressant", "metabolized in vivo to carbon monoxide (carboxyhemoglobin risk)", "volatile / high vapor pressure (~350 mmHg at 20 C)", "combustible vapors at elevated temperature (practically non-flammable in air at ambient conditions but can form flammable mixtures)", "irritant to skin/eyes/respiratory tract", "possible reproductive/developmental concern", "NIOSH potential occupational carcinogen; IDLH 2300 ppm" ], "uses": "Common medium-polarity strong solvent for normal-phase (silica) HPLC and preparative/flash column chromatography; frequent component of mobile phases with hexane/heptane and modifiers. Widely used as a low-boiling extraction and sample-prep solvent, and as a GC solvent/diluent. Its low UV transparency (cutoff ~233-235 nm) limits use in low-UV detection; not used in reversed-phase (immiscible with water).", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "diethyl-ether", "name": "Diethyl ether", "aka": [ "ether", "Et2O" ], "formula": "C4H10O", "cas": "60-29-7", "uvCutoffNm": 218, "snyderP": 2.8, "selectivityGroup": "I", "eluotropicSilica": 0.38, "bpC": 34.6, "viscosityCp": 0.224, "refractiveIndex": 1.3526, "densityGmL": 0.7134, "waterMiscibility": "partial", "polarityClass": "low-polarity", "uspClass": "Class 3", "safety": [ "extremely flammable (bp 34.6 C, flash point -45 C, wide explosive range 1.9-36%)", "peroxide-former (forms explosive peroxides on storage/exposure to air and light)", "CNS depressant / anesthetic (narcotic vapors)", "acute inhalation hazard", "low chronic toxicity (ICH/USP Class 3)" ], "uses": "Common extraction/partition solvent in sample prep (liquid-liquid extraction); normal-phase LC as a moderately strong modifier in hexane-based mobile phases; low-boiling GC solvent and headspace/purge diluent. Low viscosity gives low column backpressure, but volatility, low UV transparency and peroxide risk limit routine HPLC mobile-phase use.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "dmso", "name": "Dimethyl sulfoxide", "aka": [ "DMSO" ], "formula": "C2H6OS", "cas": "67-68-5", "uvCutoffNm": 265, "snyderP": 7.2, "selectivityGroup": "III", "eluotropicSilica": null, "bpC": 189, "viscosityCp": 2, "refractiveIndex": 1.4793, "densityGmL": 1.1, "waterMiscibility": "miscible", "polarityClass": "polar-aprotic", "uspClass": "Class 3", "safety": [ "combustible (flash point ~88-95 C; not highly flammable but combustible)", "skin penetration enhancer (readily absorbed through skin and can carry dissolved solutes systemically)", "mild skin/eye irritant", "hygroscopic", "not classified as carcinogen or reprotoxic", "low acute oral toxicity", "not a peroxide former" ], "uses": "Polar aprotic solvent widely used as a sample-dissolution / injection solvent in reversed-phase HPLC for poorly soluble compounds (drug discovery, high-throughput screening stock solutions), and as a strong dissolving diluent for LC-MS sample prep. Used as the mobile-phase and standard solvent in GPC/SEC for polymers and polyamides. In GC it is a Class 3 residual solvent commonly quantified by headspace GC, and DMSO itself serves as a high-boiling matrix/dissolution solvent for headspace analysis. Rarely used as a mobile-phase component in NP-HPLC due to high viscosity and UV absorbance.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "ethanol", "name": "Ethanol", "aka": [ "EtOH" ], "formula": "C2H6O", "cas": "64-17-5", "uvCutoffNm": 210, "snyderP": 4.3, "selectivityGroup": "II", "eluotropicSilica": 0.88, "bpC": 78.37, "viscosityCp": 1.07, "refractiveIndex": 1.3611, "densityGmL": 0.789, "waterMiscibility": "miscible", "polarityClass": "polar-protic", "uspClass": "Class 3", "safety": [ "highly flammable (flash point ~13 C)", "CNS depressant / intoxicant on ingestion", "eye irritant", "vapor forms explosive mixtures with air", "IARC Group 1 (alcoholic-beverage ingestion) - not a solvent-exposure classification" ], "uses": "Common HPLC/GC solvent. In HPLC it is a lower-toxicity, greener alternative to methanol/acetonitrile as an RP organic modifier (higher viscosity/backpressure and slightly higher UV cutoff than MeCN). Used as normal-phase strong eluent (high eluotropic strength), preparative/finished-product mobile phase, sample diluent, and needle/wash solvent. In GC it is a common volatile injection/dilution solvent and is one of the three Snyder selectivity probe solutes.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "ethyl-acetate", "name": "Ethyl acetate", "aka": [ "EtOAc" ], "formula": "C4H8O2", "cas": "141-78-6", "uvCutoffNm": 256, "snyderP": 4.4, "selectivityGroup": "VIa", "eluotropicSilica": 0.38, "bpC": 77.1, "viscosityCp": 0.43, "refractiveIndex": 1.3724, "densityGmL": 0.902, "waterMiscibility": "partial", "polarityClass": "low-polarity", "uspClass": "Class 3", "safety": [ "highly flammable liquid and vapor", "eye irritant", "may cause drowsiness or dizziness (CNS)", "not classified as carcinogen or reprotoxic" ], "uses": "Common mid-polarity solvent in normal-phase HPLC and TLC on silica; frequent GC solvent and headspace/extraction solvent; sample-prep and liquid-liquid extraction solvent. Higher UV cutoff (~256 nm) limits use in low-UV HPLC detection.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "iso-octane", "name": "Iso-octane", "aka": [ "2,2,4-trimethylpentane" ], "formula": "C8H18", "cas": "540-84-1", "uvCutoffNm": 215, "snyderP": 0.1, "selectivityGroup": null, "eluotropicSilica": 0.01, "bpC": 99.2, "viscosityCp": 0.5, "refractiveIndex": 1.3915, "densityGmL": 0.692, "waterMiscibility": "immiscible", "polarityClass": "nonpolar", "uspClass": "not classified", "safety": [ "highly flammable liquid and vapor (flash point approx -12 C)", "aspiration hazard - may be fatal if swallowed and enters airways (H304)", "skin irritant / defatting (H315)", "may cause drowsiness or dizziness (H336)", "very toxic to aquatic life with long-lasting effects (H410)", "not a listed carcinogen; not a peroxide former" ], "uses": "Weak (nonpolar) mobile phase and sample diluent in normal-phase HPLC, often blended with a polar modifier; low-boiling GC solvent and injection diluent; liquid-liquid extraction solvent for nonpolar/lipid analytes (e.g. isooctane vs acetonitrile fat partitioning); UV-transparent spectroscopy solvent; primary reference standard for octane rating (defined as 100).", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "methanol", "name": "Methanol", "aka": [ "MeOH" ], "formula": "CH4O", "cas": "67-56-1", "uvCutoffNm": 205, "snyderP": 5.1, "selectivityGroup": "II", "eluotropicSilica": 0.73, "bpC": 64.7, "viscosityCp": 0.59, "refractiveIndex": 1.3284, "densityGmL": 0.792, "waterMiscibility": "miscible", "polarityClass": "polar-protic", "uspClass": "Class 2", "safety": [ "highly flammable (Flam. Liq. 2, flash point ~11-12 C)", "acute toxicity oral/dermal/inhalation (Acute Tox. 3)", "toxic to CNS and optic nerve - causes blindness/death if ingested (STOT SE 1)", "not a peroxide-former", "not classified as carcinogen", "some jurisdictions additionally flag suspected reproductive/developmental toxicity" ], "uses": "One of the two workhorse reversed-phase HPLC organic modifiers (with acetonitrile); low UV cutoff and low cost make it standard for RP gradient/isocratic separations; also normal-phase strong modifier, LC-MS mobile phase (protonation/ionization aid), and a common GC solvent/diluent and extraction solvent.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "mek", "name": "Methyl ethyl ketone", "aka": [ "MEK", "2-butanone" ], "formula": "C4H8O", "cas": "78-93-3", "uvCutoffNm": 329, "snyderP": 4.7, "selectivityGroup": "VIa", "eluotropicSilica": null, "bpC": 79.64, "viscosityCp": 0.43, "refractiveIndex": 1.3788, "densityGmL": 0.8049, "waterMiscibility": "partial", "polarityClass": "polar-aprotic", "uspClass": "Class 3", "safety": [ "highly flammable liquid and vapor", "eye irritant", "respiratory/skin irritant", "CNS depressant at high vapor concentrations", "not classified as carcinogen (IARC/NTP)" ], "uses": "Medium-polarity ketone solvent used in GC (including as a headspace/dilution solvent) and as a strong normal-phase eluent; also an extraction/sample-prep solvent. Its high UV cutoff (~329 nm) makes it unsuitable as a low-wavelength UV-HPLC mobile phase.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "mibk", "name": "Methyl isobutyl ketone", "aka": [ "MIBK" ], "formula": "C6H12O", "cas": "108-10-1", "uvCutoffNm": 334, "snyderP": 4.2, "selectivityGroup": "VIa", "eluotropicSilica": null, "bpC": 115.7, "viscosityCp": 0.545, "refractiveIndex": 1.3962, "densityGmL": 0.7965, "waterMiscibility": "partial", "polarityClass": "low-polarity", "uspClass": "Class 2", "safety": [ "highly flammable (H225, flash point ~14-18 C, autoignition ~448 C)", "eye irritant (H319)", "harmful if inhaled (H332)", "may cause drowsiness/dizziness - CNS narcotic (H336)", "suspected carcinogen (H351; IARC Group 2B)", "not a significant peroxide former (unlike ethers)" ], "uses": "GC/HPLC solvent of moderate polarity; low water solubility makes it a preferred solvent for liquid-liquid extraction and sample cleanup (e.g. extraction of metals as chelates, organic analytes from aqueous matrices) prior to GC or AAS/ICP; extraction/back-extraction in residue analysis; general medium-polarity solvent for resins, coatings and nitrocellulose. High UV cutoff (334 nm) makes it unsuitable for low-wavelength UV/HPLC detection.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "mtbe", "name": "MTBE", "aka": [ "methyl tert-butyl ether", "TBME" ], "formula": "C5H12O", "cas": "1634-04-4", "uvCutoffNm": 210, "snyderP": 2.5, "selectivityGroup": "I", "eluotropicSilica": 0.48, "bpC": 55.2, "viscosityCp": 0.34, "refractiveIndex": 1.369, "densityGmL": 0.7404, "waterMiscibility": "partial", "polarityClass": "low-polarity", "uspClass": "Class 3", "safety": [ "highly flammable (H225, flash point approx -28C)", "peroxide-former on air exposure (though less prone than diethyl ether)", "respiratory/skin/eye irritant (H315, H319/H320, H335)", "may cause drowsiness/dizziness (H336)", "possible groundwater contaminant / environmental concern", "IARC Group 3 (not classifiable as to carcinogenicity to humans)" ], "uses": "HPLC/GC extraction and normal-phase mobile-phase solvent; a low-boiling, low-viscosity ether used as a safer, lower-peroxide alternative to diethyl ether. Used in normal-phase LC to modulate polarity/retention, as an extraction solvent for lipophilic analytes (cholesterol, lipids, pesticides, carotenoids), for liquid-liquid extraction sample prep, and as a GC diluent. Notably UV-transparent for an ether (good baseline for UV detection), but drawbacks include peroxide formation, toxicity/environmental concern, and incompatibility with PEEK tubing.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "n-butanol", "name": "n-Butanol", "aka": [ "1-butanol" ], "formula": "C4H10O", "cas": "71-36-3", "uvCutoffNm": 215, "snyderP": 3.9, "selectivityGroup": "II", "eluotropicSilica": 0.7, "bpC": 117.7, "viscosityCp": 2.95, "refractiveIndex": 1.399, "densityGmL": 0.81, "waterMiscibility": "partial", "polarityClass": "polar-protic", "uspClass": "Class 3", "safety": [ "flammable (H226; flash point ~35-37 C)", "harmful if swallowed (H302)", "causes serious eye damage (H318)", "skin/eye irritant (H315)", "respiratory tract irritation (H335)", "may cause drowsiness or dizziness - CNS depressant (H336)", "not classified as a carcinogen", "not classified as reprotoxic", "not a peroxide-former" ], "uses": "Moderately polar protic solvent used as an HPLC mobile-phase modifier and sample diluent, in normal-phase and ion-pair separations, and in solvent systems for sugars, amino acids, and polar analytes. Also a GC solvent/analyte, a common extraction and TLC-development solvent, and a general organic-synthesis/plasticizer feedstock. Its higher viscosity (~2.95 cP) raises HPLC backpressure, so it is used more as a modifier than a bulk mobile phase.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "butyl-acetate", "name": "n-Butyl acetate", "aka": [], "formula": "C6H12O2", "cas": "123-86-4", "uvCutoffNm": 254, "snyderP": 4, "selectivityGroup": "VIa", "eluotropicSilica": null, "bpC": 126, "viscosityCp": 0.685, "refractiveIndex": 1.3941, "densityGmL": 0.8825, "waterMiscibility": "immiscible", "polarityClass": "low-polarity", "uspClass": "not classified", "safety": [ "flammable (H226, flash point ~22-27 C)", "eye/skin/respiratory irritant (H319/H335)", "narcotic effects - drowsiness/dizziness (H336)", "not a listed carcinogen or reprotoxic", "not a peroxide-former" ], "uses": "Rarely a mobile-phase solvent in HPLC (UV cutoff 254 nm limits low-UV detection); used mainly as a medium-polarity ester eluent in normal-phase/TLC work and as a GC solvent and calibration/reference analyte. A common industrial coatings/lacquer solvent; in analytical labs used for extractions and as a moderately nonpolar diluent miscible with most organics but essentially immiscible with water.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "heptane", "name": "n-Heptane", "aka": [ "heptane" ], "formula": "C7H16", "cas": "142-82-5", "uvCutoffNm": 200, "snyderP": 0.1, "selectivityGroup": null, "eluotropicSilica": 0.01, "bpC": 98.4, "viscosityCp": 0.39, "refractiveIndex": 1.3876, "densityGmL": 0.684, "waterMiscibility": "immiscible", "polarityClass": "nonpolar", "uspClass": "Class 3", "safety": [ "highly flammable (H225)", "aspiration hazard - may be fatal if swallowed and enters airways (H304)", "skin irritant (H315)", "narcotic / drowsiness or dizziness (STOT SE 3, H336)", "very toxic to aquatic life with long-lasting effects (H410/H411)" ], "uses": "Nonpolar mobile phase / weak eluent in normal-phase HPLC and adsorption chromatography (often replacing hexane for lower toxicity); sample diluent and extraction solvent for lipophilic analytes; reference standard for octane rating; GC applications and as a nonpolar carrier/diluent. Low P' and near-zero eluotropic strength make it the weak end of normal-phase gradient systems.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "hexane", "name": "n-Hexane", "aka": [ "hexane", "hexanes" ], "formula": "C6H14", "cas": "110-54-3", "uvCutoffNm": 195, "snyderP": 0.1, "selectivityGroup": null, "eluotropicSilica": 0.01, "bpC": 68.7, "viscosityCp": 0.31, "refractiveIndex": 1.3749, "densityGmL": 0.659, "waterMiscibility": "immiscible", "polarityClass": "nonpolar", "uspClass": "Class 2", "safety": [ "highly flammable (H225, flash point approx -22 C)", "neurotoxic - peripheral neuropathy via metabolite 2,5-hexanedione (STOT RE 2, H373)", "reprotoxic (Repr. 2, H361f - suspected damage to fertility)", "aspiration hazard (H304)", "skin/respiratory irritant (H315, H336)", "aquatic toxicity (H411)", "NOT a known carcinogen", "NOT a significant peroxide-former" ], "uses": "Primary nonpolar mobile phase for normal-phase HPLC, typically blended with a polar modifier (2-propanol, ethanol, ethyl acetate, or dichloromethane) to tune elution strength; standard weak solvent for normal-phase and chiral (polysaccharide-column) separations; sample diluent and extraction solvent for nonpolar analytes (lipids, oils, waxes, hydrocarbons); GC extraction/injection solvent for nonpolar matrices. Low UV cutoff permits low-wavelength UV detection in normal phase.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "nmp", "name": "N-Methylpyrrolidone", "aka": [ "NMP" ], "formula": "C5H9NO", "cas": "872-50-4", "uvCutoffNm": 285, "snyderP": 6.7, "selectivityGroup": "III", "eluotropicSilica": null, "bpC": 202, "viscosityCp": 1.65, "refractiveIndex": 1.4685, "densityGmL": 1.028, "waterMiscibility": "miscible", "polarityClass": "polar-aprotic", "uspClass": "Class 2", "safety": [ "reprotoxic (REACH Repr. 1B, SVHC)", "developmental toxicant / teratogen (in-utero developmental neurotoxicity is the ICH Q3C PDE-defining endpoint)", "combustible liquid (flash point ~86-95 C; not highly flammable)", "skin and eye irritant", "high-boiling polar aprotic solvent" ], "uses": "Not a common HPLC mobile-phase solvent (high UV cutoff ~285 nm and high boiling point limit it). Used as a strong dissolution/diluent solvent for poorly soluble analytes (polymers, dyes, pharmaceuticals, battery/electrode materials) prior to injection; sample-preparation solvent; headspace-GC matrix/dissolution solvent (e.g. pharma-grade 'for headspace GC' grades exist). Also widely used industrially for extractive distillation (selective for aromatics over aliphatics) and as a general polar aprotic process solvent.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "pentane", "name": "n-Pentane", "aka": [ "pentane" ], "formula": "C5H12", "cas": "109-66-0", "uvCutoffNm": 190, "snyderP": 0, "selectivityGroup": null, "eluotropicSilica": 0, "bpC": 36.07, "viscosityCp": 0.23, "refractiveIndex": 1.3575, "densityGmL": 0.6262, "waterMiscibility": "immiscible", "polarityClass": "nonpolar", "uspClass": "Class 3", "safety": [ "extremely flammable (flash point ~-49C, low boiling)", "high vapor pressure / explosive vapor-air mixtures", "aspiration hazard (can be fatal if swallowed and enters airways)", "CNS depressant / narcotic at high vapor concentrations", "aquatic/environmental hazard", "static-discharge ignition risk" ], "uses": "Non-polar weak eluent in normal-phase HPLC (start of the eluotropic series, epsilon ~0); UV-transparent (cutoff ~190 nm) making it suitable for low-wavelength UV detection; volatile GC solvent and headspace/extraction solvent; sample dilution and evaporative concentration due to very low boiling point; used similarly to hexane/heptane but more volatile.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "dmac", "name": "N,N-Dimethylacetamide", "aka": [ "DMAc" ], "formula": "C4H9NO", "cas": "127-19-5", "uvCutoffNm": 270, "snyderP": 6.5, "selectivityGroup": "III", "eluotropicSilica": null, "bpC": 165, "viscosityCp": 0.94, "refractiveIndex": 1.4375, "densityGmL": 0.937, "waterMiscibility": "miscible", "polarityClass": "polar-aprotic", "uspClass": "Class 2", "safety": [ "combustible liquid (H227, flash point ~63-70 C)", "reprotoxic - GHS Repro. Cat 2 (H361, suspected of damaging fertility/unborn child)", "toxic if inhaled (Acute Tox. Cat 3, H331)", "causes serious eye irritation/damage", "hepatotoxic on chronic exposure", "readily absorbed through skin" ], "uses": "Highly polar aprotic solvent used as a mobile-phase component/sample diluent in HPLC and LC-MS for dissolving polymers, poorly soluble APIs, and inorganic salts; strong dissolving power for a wide range of organic and inorganic compounds. High boiling point and high UV cutoff (carbonyl absorbs strongly below ~270 nm) limit its use as a bulk HPLC eluent; more common as a sample solvent. Itself a regulated ICH Q3C/USP <467> Class 2 residual solvent (PDE ~10.9 mg/day).", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "dmf", "name": "N,N-Dimethylformamide", "aka": [ "DMF" ], "formula": "C3H7NO", "cas": "68-12-2", "uvCutoffNm": 268, "snyderP": 6.4, "selectivityGroup": "III", "eluotropicSilica": null, "bpC": 153, "viscosityCp": 0.92, "refractiveIndex": 1.4305, "densityGmL": 0.944, "waterMiscibility": "miscible", "polarityClass": "polar-aprotic", "uspClass": "Class 2", "safety": [ "flammable", "reprotoxic (H360D - may damage the unborn child)", "toxic/harmful by inhalation and skin contact", "hepatotoxic", "eye/skin irritant" ], "uses": "Strong polar aprotic solvent used in HPLC/GC to dissolve difficult samples and polymers; common mobile phase / eluent for GPC-SEC (polymer characterization); sample diluent and dissolution medium (e.g., USP <467> Class 2 standard stock preparation). High 268 nm UV cutoff and high refractive index limit its use as a mobile phase for low-UV or RI detection; high boiling point (153 C) suits it as a GC sample solvent.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "pyridine", "name": "Pyridine", "aka": [], "formula": "C5H5N", "cas": "110-86-1", "uvCutoffNm": 330, "snyderP": 5.3, "selectivityGroup": "III", "eluotropicSilica": null, "bpC": 115.2, "viscosityCp": 0.95, "refractiveIndex": 1.5093, "densityGmL": 0.982, "waterMiscibility": "miscible", "polarityClass": "polar-aprotic", "uspClass": "Class 2", "safety": [ "highly flammable (flash point ~20 C)", "acutely toxic / harmful by inhalation, ingestion and skin contact", "hepatotoxic (liver) and CNS toxicity", "suspected reproductive toxicity", "IARC Group 3 (not classifiable as to carcinogenicity)", "strong penetrating odor / lachrymator" ], "uses": "Rarely used as an HPLC mobile-phase component because of its strong UV absorbance (very high cutoff ~330 nm), toxicity and odor. Its main analytical roles: as a basic reaction/derivatization solvent and acid-scavenging base for GC derivatization (silylation, acetylation, trimethylsilylation reagents), as a solvent/base in Karl Fischer titration reagents (classical pyridine-based formulations), and as a general polar aprotic-basic GC solvent and complexing agent.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "tert-butanol", "name": "tert-Butanol", "aka": [ "t-BuOH", "2-methyl-2-propanol" ], "formula": "C4H10O", "cas": "75-65-0", "uvCutoffNm": 245, "snyderP": 4.1, "selectivityGroup": "II", "eluotropicSilica": null, "bpC": 82.4, "viscosityCp": 4.3, "refractiveIndex": 1.3878, "densityGmL": 0.775, "waterMiscibility": "miscible", "polarityClass": "polar-protic", "uspClass": "Class 2", "safety": [ "flammable (GHS Flam. Liq. 2, flash point ~11 C)", "acute toxicity via inhalation (GHS Acute Tox. 4)", "eye irritant (Eye Irrit. 2)", "CNS/narcotic effects - drowsiness/dizziness (STOT SE 3)", "animal carcinogen: kidney tumors in male rats, thyroid tumors in mice (NTP); not classified as a human carcinogen", "NOT a peroxide former (tertiary alcohol, not an ether)", "solid at/below ~25 C - handling caveat (must be warmed to liquefy)" ], "uses": "A polar protic alcohol used in HPLC/GC as a mobile-phase modifier and co-solvent rather than a primary eluent, because its melting point (~25-26 C) means it is solid at ambient temperature and it is highly viscous, requiring the solvent and lines to be kept warm. Uses: gradient/organic modifier and sample-solubilizing co-solvent in RP-HPLC, ion-pair and normal-phase applications, and a common co-solvent/structuring agent for lyophilization (freeze-drying) of pharmaceuticals. In GC it is both a sample solvent and an analyte of interest: tert-butyl alcohol is itself an ICH Q3C residual solvent routinely quantified by headspace GC-FID/MS. Audience: pharma/CRO residual-solvent and formulation labs.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "tetrahydrofuran", "name": "Tetrahydrofuran", "aka": [ "THF" ], "formula": "C4H8O", "cas": "109-99-9", "uvCutoffNm": 212, "snyderP": 4, "selectivityGroup": "III", "eluotropicSilica": 0.53, "bpC": 66, "viscosityCp": 0.48, "refractiveIndex": 1.4072, "densityGmL": 0.889, "waterMiscibility": "miscible", "polarityClass": "polar-aprotic", "uspClass": "Class 2", "safety": [ "highly flammable", "peroxide-former (forms explosive peroxides on air/light exposure)", "suspected carcinogen (GHS H351; non-genotoxic rodent carcinogen)", "eye/respiratory irritant (H319/H335)", "specific target organ toxicity (H371/H372)", "hygroscopic / air- and light-sensitive" ], "uses": "Versatile mid-polarity aprotic solvent bridging polar and nonpolar analytes. Common HPLC organic modifier in reversed-phase ternary mobile phases (e.g., MeOH/THF/water) to alter selectivity vs acetonitrile/methanol; also a strong normal-phase eluent. Dominant mobile phase for non-aqueous GPC/SEC of polymers (polystyrene standards). GC use limited (peroxide/UV background); used as sample diluent and extraction solvent. HPLC-grade must be fresh and BHT-stabilization considered to avoid peroxide-driven UV baseline rise.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "toluene", "name": "Toluene", "aka": [ "methylbenzene", "PhMe" ], "formula": "C7H8", "cas": "108-88-3", "uvCutoffNm": 285, "snyderP": 2.4, "selectivityGroup": "VII", "eluotropicSilica": 0.22, "bpC": 110.6, "viscosityCp": 0.56, "refractiveIndex": 1.4969, "densityGmL": 0.8669, "waterMiscibility": "immiscible", "polarityClass": "low-polarity", "uspClass": "Class 2", "safety": [ "highly flammable liquid and vapor", "reprotoxic (repro. tox. Cat. 2, suspected damage to unborn child)", "aspiration hazard (may be fatal if swallowed and enters airways)", "CNS depressant / neurotoxic on repeated exposure (STOT RE)", "skin and eye irritant", "not classified as carcinogen (IARC Group 3)" ], "uses": "Common nonpolar/mid-strength solvent in normal-phase HPLC and as a mobile-phase modifier; frequent GC/GC-MS diluent and headspace solvent; UV cutoff (~285 nm) limits use as a UV-transparent HPLC solvent but it is a useful UV probe/marker; sample diluent for nonpolar analytes, polymers, oils and resins; extraction and dissolution solvent; common GC calibration/reference and residual-solvent (USP <467> Class 2) analyte.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "triethylamine", "name": "Triethylamine", "aka": [ "TEA", "Et3N" ], "formula": "C6H15N", "cas": "121-44-8", "uvCutoffNm": null, "snyderP": 1.9, "selectivityGroup": "I", "eluotropicSilica": null, "bpC": 89, "viscosityCp": 0.36, "refractiveIndex": 1.401, "densityGmL": 0.726, "waterMiscibility": "partial", "polarityClass": "low-polarity", "uspClass": "Class 3", "safety": [ "highly flammable (flash point approx -7 to -11 C)", "corrosive - causes severe skin/eye burns", "acute toxicity (harmful/toxic oral, dermal, inhalation)", "respiratory irritant / lachrymator", "not a peroxide former", "not classified as carcinogen" ], "uses": "HPLC mobile-phase additive: a basic silanol-masking/suppressing agent added (typically 0.1-1%) to reduce peak tailing of basic analytes on silica-based C18 columns; ion-pairing/ion-suppression reagent and organic base pH modifier. Used in TEAA/TEAP (triethylammonium acetate/phosphate) buffers for ion-pair RP-HPLC of oligonucleotides, nucleotides and phosphorylated compounds. Also used in GC as a basic deactivating additive and as a synthesis/HPLC-prep base. Note: it absorbs in the low UV (measurable absorbance from ~254 up to ~300 nm), so it interferes with low-wavelength UV detection.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] }, { "slug": "water", "name": "Water", "aka": [ "H2O", "aqueous" ], "formula": "H2O", "cas": "7732-18-5", "uvCutoffNm": 190, "snyderP": 10.2, "selectivityGroup": "VIII", "eluotropicSilica": null, "bpC": 100, "viscosityCp": 0.89, "refractiveIndex": 1.333, "densityGmL": 0.998, "waterMiscibility": "miscible", "polarityClass": "water", "uspClass": "not classified", "safety": [], "uses": "Primary aqueous component of reversed-phase HPLC mobile phases; blended with methanol or acetonitrile (plus buffers/ion-pair reagents/acids) for isocratic and gradient elution. Used as sample diluent and blank. LC-MS grade water is standard. Not a GC carrier; occasionally a headspace/sample matrix.", "sourceKeys": [ "uvCutoff", "snyder", "nist", "pubchem", "usp467" ] } ] }