3-hexenyl hexanoate
hexanoicacid, 3-hexenyl ester (9CI)
 
Notes:
None found
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CAS Number: 84434-19-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 282-819-5
FDA UNII: 9K0X3I1C0O
XlogP3-AA: 3.80 (est)
Molecular Weight: 198.30574000
Formula: C12 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
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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
Boiling Point: 256.00 to  257.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.016000 mmHg @ 25.00 °C. (est)
Flash Point: 188.00 °F. TCC ( 86.70 °C. ) (est)
logP (o/w): 4.438 (est)
Soluble in:
 alcohol
 water, 5.496 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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: information only not used for fragrances or flavors
Recommendation for 3-hexenyl hexanoate usage levels up to:
 not for fragrance use.
 
Recommendation for 3-hexenyl hexanoate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61895
National Institute of Allergy and Infectious Diseases: Data
 hex-3-enyl hexanoate
Chemidplus: 0084434195
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References:
 hex-3-enyl hexanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 61895
Pubchem (sid): 135269809
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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): Search
Typical G.C.
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
 malpighia glabra fruit oil @ 0.30%
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Synonyms:
 hex-3-en-1-yl hexanoate
 hex-3-enyl hexanoate
 hexanoic acid hex-3-enyl ester
 hexanoic acid, 3-hexen-1-yl ester
 hexanoicacid, 3-hexenyl ester (9CI)
3-hexen-1-yl hexanoate
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