2-hexenyl hexanoate
2-hexen-1-yl hexanoate
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 10448-24-5Picture of molecule3D/inchi
Molecular Weight: 198.30574000
Formula: C12 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.87500 to 0.88500 @  25.00 °C.
Pounds per Gallon - (est).: 7.281 to  7.364
Refractive Index: 1.43200 to 1.44600 @  20.00 °C.
Boiling Point: 256.00 to  257.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 125.00 °C. @ 25.00 mm Hg
Vapor Pressure: 0.016000 mmHg @ 25.00 °C. (est)
Flash Point: 188.00 °F. TCC ( 86.50 °C. ) (est)
logP (o/w): 4.655 (est)
Soluble in:
 alcohol
 water, 5.496 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: green
 
 green  fruity  
Odor Description:
at 10.00 % in propylene glycol. 
green fruity
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Aston Chemical
For experimental / research use only.
Hexanoic acid, 2-hexenyl ester
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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
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for 2-hexenyl hexanoate usage levels up to:
 not for fragrance use.
 
Recommendation for 2-hexenyl hexanoate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
National Institute of Allergy and Infectious Diseases: Data
 hex-2-enyl hexanoate
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References:
 hex-2-enyl hexanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (sid): 162442267
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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): HMDB38924
FooDB: FDB018390
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 apricot fruit
Search Trop  Picture
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Synonyms:
 hex-2-enyl hexanoate
2-hexen-1-yl hexanoate
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