sec-hexyl alcohol
2-ethylbutyl alcohol

Sponsors

Name: 2-ethylbutan-1-ol
CAS Number: 97-95-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 202-621-4
FDA UNII: 28002VFS3H
Nikkaji Web: J55.485E
Beilstein Number: 1731254
MDL: MFCD00004744
CoE Number: 543
XlogP3-AA: 1.60 (est)
Molecular Weight: 102.17678000
Formula: C6 H14 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
Flavis Number: 02.043 (Old)
DG SANTE Food Flavourings: 02.043 2-ethylbutan-1-ol
 
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.82700 to 0.83900 25.00 °C.
Pounds per Gallon - (est).: 6.881 to 6.981
Refractive Index: 1.41800 to 1.42000 @ 20.00 °C.
Melting Point: -15.00 to -14.00 °C. @ 760.00 mm Hg
Boiling Point: 146.00 to 147.00 °C. @ 760.00 mm Hg
Vapor Pressure: 1.812000 mm/Hg @ 25.00 °C. (est)
Flash Point: 137.00 °F. TCC ( 58.33 °C. )
logP (o/w): 1.702 (est)
Soluble in:
 alcohol
 water, 1.195e+004 mg/L @ 25 °C (est)
 water, 4000 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor Type: alcoholic
Odor Strength: medium
 sweet musty alcoholic
Odor Description:
at 100.00 %.
sweet musty alcoholic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
EMD Millipore
For experimental / research use only.
2-Ethyl-1-butanol
FCI SAS
2 ETHYL BUTANOL
Odor: Alcoholic green
Penta International
2-ETHYL-1-BUTANOL
Santa Cruz Biotechnology
For experimental / research use only.
2-Ethyl-1-butanol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Ethyl-1-butanol 98%
TCI AMERICA
For experimental / research use only.
2-Ethyl-1-butanol >98.0%(GC)
 
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
 
 
Safety References:
EPI System: View
NLM Hazardous Substances Data Bank: 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
 
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 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
Haz-Map: View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Formulations/Preparations:
ethyl butanol is 3 wt% of hexyl alcohol
 
Potential Blenders and core components note
For Odor
alcoholic
iso
propyl alcohol
FL/FR
amber
labdanum absolute
FL/FR
fruity
ethyl (Z)-4-heptenoate
FL/FR
green
3-
heptanone
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
For Flavor
No flavor group found for these
methyl 2-hydroxy-4-methyl valerate
FL
alcoholic
alcoholic
iso
propyl alcohol
FL/FR
amber
labdanum absolute
FL/FR
burnt
furfuryl alcohol
FL
fruity
ethyl (Z)-4-heptenoate
FL/FR
fusel
3-
methyl-2-butanol
FL
ketonic
3-
heptanone
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other): note
 mung bean
Search PMC Picture
 soybean
Search Trop Picture
 
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
pseudohexyl alcohol
sec-hexyl alcohol
3-methylolpentane
sec-pentyl carbinol
sec-pentylcarbinol
 

Articles:

PubMed: Comparative study of dynamics in glass forming mixtures of Debye-type N-ethylacetamide with water, alcohol, and amine.
PubMed: Debye relaxation and 250 K anomaly in glass forming monohydroxy alcohols.
PubMed: Unusual dielectric strength of Debye relaxation in monohydroxy alcohols upon mixing.
PubMed: The effect of alcohol structures on the interaction mode with the hexameric capsule of resorcin[4]arene.
PubMed: Effect of soil organic carbon on the quantification of jet-fuels in soil using partitioning tracer method.
PubMed: Fragrance material review on 2-ethyl-1-butanol.
 
Notes:
None found
 
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