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(E)-3-hexen-1-yl butyrate
trans-3-hexenyl butyrate

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Name:[(E)-hex-3-enyl] butanoate
CAS Number: 53398-84-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:258-516-9
Nikkaji Web:J118.156D
XlogP3-AA:2.70 (est)
Molecular Weight:170.25186000
Formula:C10 H18 O2
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
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Perfumer and Flavorist:Search
Google Patents:Search
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Pubchem Patents:Search
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 213.00 to 215.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.135000 mmHg @ 25.00 °C. (est)
Flash Point: 174.00 °F. TCC ( 79.00 °C. ) (est)
logP (o/w): 3.419 (est)
Soluble in:
 water, 52.1 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
(E)-Hex-3-enyl butyrate
Safety Information:
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
Category: flavor and fragrance agents
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):53398-84-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5352331
National Institute of Allergy and Infectious Diseases:Data
[(E)-hex-3-enyl] butanoate
 [(E)-hex-3-enyl] butanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:53398-84-8
Pubchem (cid):5352331
Pubchem (sid):135061336
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
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 hancornia speciosa
Search Trop Picture
 butanoic acid, (3E)-3-hexen-1-yl ester
 butanoic acid, (3E)-3-hexenyl ester
 butanoic acid, 3-hexenyl ester, (E)-
 butyric acid trans-hex-3-en-1-yl ester
(3E)-hex-3-en-1-yl butanoate
(3E)-hex-3-en-1-yl butyrate
(E)-hex-3-enyl butyrate
trans-hex-3-enyl butyrate
[(E)-hex-3-enyl] butanoate
trans-3-hexen-1-yl butyrate
(E)-3-hexenyl butyrate
trans-3-hexenyl butyrate
None found
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