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prenyl heptanoate
heptanoic acid, 3-methyl-2-butenyl ester

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Name:3-methylbut-2-enyl heptanoate
CAS Number: 5205-10-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-997-1
FDA UNII: Search
Nikkaji Web:J297.938A
XlogP3-AA:4.10 (est)
Molecular Weight:198.30574000
Formula:C12 H22 O2
NMR Predictor:Predict (works with chrome, Edge 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 to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 253.00 to 255.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.017000 mmHg @ 25.00 °C. (est)
Flash Point: 186.00 °F. TCC ( 85.56 °C. )
logP (o/w): 4.564 (est)
Soluble in:
 water, 4.921 mg/L @ 25 °C (est)
Insoluble in:
Similar Items:note
allyl heptanoate
amyl heptanoate
isoamyl heptanoate
benzyl heptanoate
butyl heptanoate
isobutyl heptanoate
decyl heptanoate
ethyl 2-acetyl heptanoate
ethyl heptanoate
eugenyl heptanoate
furfuryl heptanoate
geranyl heptanoate
heptyl heptanoate
(Z)-3-hexen-1-yl heptanoate
hexyl heptanoate
methyl heptanoate
nonyl heptanoate
octyl heptanoate
phenethyl heptanoate
propyl heptanoate
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
Grau Aromatics
SRS Aromatics
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):5205-10-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :78880
National Institute of Allergy and Infectious Diseases:Data
3-methylbut-2-enyl heptanoate
 3-methylbut-2-enyl heptanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):78880
Pubchem (sid):135033840
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
Export Tariff Code:2915.60
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
 heptanoic acid 3-methyl-2-buten-1-yl ester
 heptanoic acid, 3-methyl-2-buten-1-yl ester
 heptanoic acid, 3-methyl-2-butenyl ester
3-methyl but-2-enyl heptanoate
3-methylbut-2-en-1-yl heptanoate
3-methylbut-2-enyl heptanoate
 vertenol heptanoate (Grau)
 vertenol-heptanoate (Grau)
None found
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