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sec-hexyl alcohol
General Material Information
| Preferred name | sec-hexyl alcohol |
| Trivial Name | 2-Ethyl-1-butanol |
| Short Description | 2-ethylbutyl alcohol |
| Formula | C6 H14 O |
| CAS Number | 97-95-0 |
| Flavis Number | 2.043 |
| ECHA Number | 202-621-4 |
| FDA UNII | 28002VFS3H |
| Nikkaji Number | J55.485E |
| Beilstein Number | 1731254 |
| MDL | MFCD00004744 |
| COE Number | 543 |
| xLogP3-AA | 1.60 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| NCBI | Start search |
Literature & References
| 2-ethylbutan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 97-95-0 |
| Pubchem (cid): | 7358 |
| Pubchem (sid): | 134970815 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2905.19.9020 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: ethyl butanol is 3 wt% of hexyl alcohol | |
Suppliers
| EMD Millipore | FCI SAS |
| Penta International | Santa Cruz Biotechnology |
| Sigma-Aldrich: Aldrich | TCI AMERICA |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 102.17678070068 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.881 to 6.981 |
| Refractive Index | 1.418 to 1.42 @ 20 °C |
| Melting Point | -15 to -14°C @ 760 mm Hg |
| Boiling Point | 146 to 147°C @ 760 mm Hg |
| Vapor Pressure | 1.812 mmHg @ 25 °C |
| Flash Point TCC Value | 58.33 °C TCC |
| logP (o/w) | 1.702 est |
| Solubility | |
| alcohol | Yes |
| water, 1.195e+004 mg/L @ 25 °C (est) | Yes |
| water, 4000 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Alcoholic | |
| sweet, musty, alcoholic | |
| General comment | At 100.00 %. sweet musty alcoholic |
Occurrences
| (data available) |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 21/22 - Harmful in contact with skin and if swallowed. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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: | |
| intraperitoneal-guinea pig LD50 450 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4612, 1982. intraperitoneal-mouse LD > 400 mg/kg European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 453, 1975. oral-rabbit LD50 1200 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 377, 1944. intraperitoneal-rat LD50 800 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4612, 1982. oral-rat LD50 1850 mg/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 1260 uL/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):97-95-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7358 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2275 |
| WGK Germany:1 |
| 2-ethylbutan-1-ol |
| Chemidplus:0000097950 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:EL3850000 for cas# 97-95-0 |