Articles:
pentane, methyl-
Notes:
Extraction solvent used in food production Present in volatile fractions of various plant spp. e.g. apples, orange juice, guava fruit, roasted filberts, porcini (Boletus edulis), shiitake (Lentinus edodes), heated sweet potato and sage. Also present in scallops
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| CAS Number: | 110-54-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 203-777-6 | |
| FDA UNII: | 2DDG612ED8 | |
| Nikkaji Web: | J1.977A | |
| Beilstein Number: | 1730733 | |
| MDL: | MFCD00009520 | |
| XlogP3: | 3.90 (est) | |
| Molecular Weight: | 86.17758000 | |
| Formula: | C6 H14 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: extraction solvents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| 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 | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
not used anymore solvents |
Suppliers:
Safety Information:
| 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 DEPRESSION CARDIAC: OTHER CHANGES BEHAVIORAL: GENERAL ANESTHETIC Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 143, Pg. 223, 1929. | |
Safety in Use Information:
| 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. | |||
Safety References:
| 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 |
References:
| 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 |
Other Information:
| (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. | |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| solvents |
Occurrence (nature, food, other): note
| apricot fruit Search Trop Picture | |
| kiwi fruit Search Trop Picture | |
| kohlrabi stem Search Trop Picture |
Synonyms:
| gettysolve-B | |
| N- | hexane |
| hexyl hydride | |
| methyl pentane | |
| methylpentane | |
| pentane, methyl- | |
| skellysolve B |