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

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CAS Number: 76841-70-8Picture of molecule3D/inchi
Nikkaji Web:J167.518D
XlogP3:4.00 (est)
Molecular Weight:204.26892000
Formula:C13 H16 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
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
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 290.77 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 267.00 °F. TCC ( 130.40 °C. ) (est)
logP (o/w): 4.241 (est)
Soluble in:
 water, 13.95 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
Aston Chemical
For experimental / research use only.
2-Hexen-1-ol, benzoate, (2E)-
CJ Latta & Associates
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:
flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5352601
National Institute of Allergy and Infectious Diseases:Data
[(E)-hex-3-enyl] benzoate
 [(E)-hex-3-enyl] benzoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5352601
Pubchem (sid):135248535
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
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
 found in nature
[(E)-hex-3-enyl] benzoate
trans-3-hexen-1-yl benzoate
(E)-3-hexenyl benzoate
trans-3-hexenyl benzoate


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