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

Supplier Sponsors

Name:3-methylbut-2-enyl heptanoate
CAS Number: 5205-10-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-997-1
Nikkaji Web:J297.938A
XlogP3-AA:4.10 (est)
Molecular Weight:198.30574000
Formula:C12 H22 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 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 mm/Hg @ 25.00 °C. (est)
Flash Point: 186.00 °F. TCC ( 85.56 °C. )
logP (o/w): 4.564 (est)
Soluble in:
 alcohol
 water, 4.921 mg/L @ 25 °C (est)
Insoluble in:
 water
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
 
Suppliers:
Grau Aromatics
VERTENOL-HEPTANOATE (PRENYLHEPTANOATE)
SRS Aromatics
VERTENOL HEPTANOATE
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
 
 
Safety References:
EPI System: View
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
Chemidplus:0005205107
 
References:
 3-methylbut-2-enyl heptanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):78880
Pubchem (sid):135033840
 
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
Export Tariff Code:2915.60
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 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)
 

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Notes:
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