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	butan-1-ol, 2-ethyl- 1-butanol, 2-ethyl- 2-ethyl butan-1-ol ethyl butanol 2-ethyl butyl alcohol 2-ethyl-1-butanol 2-ethylbutan-1-ol 2-ethylbutanol 2-ethylbutyl alcohol pseudo hexyl alcohol sec- hexyl alcohol 3-methylolpentane sec- pentyl carbinol sec- pentylcarbinol 2-ethylbutan-1-ol 1-Butanol, 2-ethyl- 2-Ethyl-1-butanol 2-Ethylbutyl alcohol 3-Methylolpentane Pseudohexyl alcohol NSC 8858

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar	Start search
Google Books	Start search
Google Patents	Start search
Perfumer & Flavorists	Start search
EU Patents	Start search
PubMeb	Start search
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

Publications by PubMed
Comparative study of dynamics in glass forming mixtures of Debye-type N-ethylacetamide with water, alcohol, and amine.
Debye relaxation and 250 K anomaly in glass forming monohydroxy alcohols.
Unusual dielectric strength of Debye relaxation in monohydroxy alcohols upon mixing.
The effect of alcohol structures on the interaction mode with the hexameric capsule of resorcin[4]arene.
Effect of soil organic carbon on the quantification of jet-fuels in soil using partitioning tracer method.
Fragrance material review on 2-ethyl-1-butanol.

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

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