| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 110-54-3 |
| ECHA EC Number: | 203-777-6 |
| FDA UNII: | 2DDG612ED8 |
| Category: | extraction solvents |
| IUPAC Name: | hexane |
| InChI : | InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 |
| Std.InChI: | InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 |
| InChIKey : | VLKZOEOYAKHREP-UHFFFAOYAD |
| Std.InChIKey: | VLKZOEOYAKHREP-UHFFFAOYSA-N |
| SMILES : | CCCCCC |
| MDL: | MFCD00009520 |
| Molar Refractivity : | 29.84 ± 0.3 cm3 (est) |
| Parachor : | 270.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.384 ± 0.02 (est) |
| Surface Tension : | 20.3 ± 3.0 dyne/cm (est) |
| Density : | 0.675 ± 0.06 g/cm3 (est) |
| Polarizability : | 11.83 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 68.00 to 69.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 68.70 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 151.000000 mmHg @ 25.00 °C. (est) |
| Flash Point: | -10.00 °F. TCC ( -23.30 °C. ) (est) |
| logP (o/w): | 3.900 |
| Soluble in: | |
| alcohol | |
| acetone | |
| ether | |
| water, 17.24 mg/L @ 25 °C (est) | |
| water, 9.5 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | not used anymore solvents |
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 25000 mg/kg Industrial Health. Vol. 32, Pg. 145, 1994. intravenous-mouse LDLo 831 mg/kg BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975. intravenous-rabbit LDLo 132 mg/kg Haematologica. Vol. 58, Pg. 491, 1973. intraperitoneal-rat LDLo 9100 mg/kg Toxicology and Applied Pharmacology. Vol. 1, Pg. 156, 1959. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 48000 ppm/4H Annual Review of Pharmacology and Toxicology. Vol. 22, Pg. 145, 1982. inhalation-human TCLo 190 ppm/8W PERIPHERAL NERVE AND SENSATION: STRUCTURAL CHANGE IN NERVE OR SHEATH American Journal of Industrial Medicine. Vol. 10, Pg. 111, 1986. inhalation-mouse LCLo 120000 mg/m3 LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSIONCARDIAC: OTHER CHANGESBEHAVIORAL: GENERAL ANESTHETIC Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 143, Pg. 223, 1929. | |
| Category: | |||
| extraction solvents | |||
| Recommendation for hexane usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for hexane flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| EPA-Iris:IRIS |
| NIOSH International Chemical Safety Cards:search |
| NIOSH Pocket Guide:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):110-54-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8058 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WISER:UN 1208 |
| WGK Germany:2 |
| hexane |
| Chemidplus:0000110543 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:110-54-3 |
| hexane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 110-54-3 |
| Pubchem (cid): | 8058 |
| Pubchem (sid): | 134974359 |
| Flavornet: | 110-54-3 |
| Pherobase: | View |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| UM BBD: | Search |
| KEGG (GenomeNet): | C11271 |
| HMDB (The Human Metabolome Database): | HMDB29600 |
| FooDB: | FDB000765 |
| Export Tariff Code: | 2901.10.5000 |
| FDA Listing of Food Additive Status: | View |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •the technical grade is a mixture of approx 50% n-hexane and 50% isohexane and cyclohexane. impurities are benzene (0.001%) and other aromatics (0.01%). component of light petroleum products such as gasoline.•85%, 95%, 99%, spectro, research, and nanograde. | |
| None Found |
| solvents |
| gettysolve-B | |
| N- | hexane |
| hexyl hydride | |
| methyl pentane | |
| methylpentane | |
| pentane, methyl- | |
| skellysolve B |
