EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

allyl isononylate
allyl trimethylhexoate

Supplier Sponsors

Name:prop-2-enyl 5,5-dimethylheptanoate
CAS Number: 68132-80-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:268-648-9
XlogP3-AA:3.90 (est)
Molecular Weight:198.30574000
Formula:C12 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
Category: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: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86900 to 0.87600 @ 20.00 °C.
Pounds per Gallon - (est).: 7.239 to 7.298
Refractive Index:1.42900 to 1.43300 @ 20.00 °C.
Boiling Point: 208.00 to 210.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.032000 mm/Hg @ 25.00 °C. (est)
Flash Point: 181.00 °F. TCC ( 82.78 °C. )
logP (o/w): 4.402 (est)
Soluble in:
 alcohol
 water, 5.859 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl nonylate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity rose sweet musk
Odor Description:at 100.00 %. fruity rose sweet musk
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Charkit Chemical
ALLYL 3,5,5-TRIMETHYLHEXANOATE 1NCA0400
Penta International
ALLYL TRIMETHYL HEXANOATE, Kosher
 
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: fragrance agents
IFRA Purity Specification: < 0.1% free allyl alcohol
IFRA: View Standard
Recommendation for allyl isononylate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for allyl isononylate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):68132-80-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :109507
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
prop-2-enyl 5,5-dimethylheptanoate
Chemidplus:0068132809
 
References:
 prop-2-enyl 5,5-dimethylheptanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):109507
Pubchem (sid):135065334
 
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
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
ambrette seed absolute
FL/FR
aromatic
damascone carboxylate
FR
floral
benzyl isobutyrate
FL/FR
cassis buteneone
FR
citronellal diisotridecyl acetal
FR
citronellyl acetate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl anthranilate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
3-
cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR
beta-
damascenone
FL/FR
delta-
damascone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
ethyl linalyl acetate
FR
ethyl ortho-anisate
FL/FR
eucalyptus macarthurii oil
FR
geraniol
FL/FR
geranium oil egypt fractions
FR
geranyl formate
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
geranyl propionate
FL/FR
geranyl valerate
FL/FR
musk acetate
FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
phenethyl propionate
FL/FR
2-
phenethyl valerate
FL/FR
3-
phenyl propionic acid
FL/FR
rhodinyl butyrate
FL/FR
rose butanoate
FL/FR
styralyl propionate
FL/FR
fresh
10-
undecen-1-yl acetate
FL/FR
fruity
(E)-
ethyl tiglate
FL/FR
(E,Z)-6-
ethyl-5,7-dimethyl-2,5-octadien-4-one
FR
geranyl butyrate
FL/FR
octyl formate
FL/FR
(E,E)-
pomarose
FR
thesaron (Takasago)
FR
green
hexyl phenyl acetate
FL/FR
herbal
geranium cyclohexane
FR
geranyl octanoate
FL/FR
linalyl formate
FL/FR
musk
musk indane
FR
musk nonane
FR
musk tetralin
FR
waxy
dihydrocitronellyl acetate
FL/FR
ethyl nonanoate
FL/FR
winey
butyl angelate
FL/FR
woody
labdanum ethanone
FR
santalyl butyrate
FL/FR
For Flavor
No flavor group found for these
butyl angelate
FL/FR
dihydrocitronellyl acetate
FL/FR
ethyl ortho-anisate
FL/FR
geranyl octanoate
FL/FR
geranyl valerate
FL/FR
linalyl formate
FL/FR
2-
phenethyl valerate
FL/FR
3-
phenyl propionic acid
FL/FR
santalyl butyrate
FL/FR
citrus
citrus
styralyl propionate
FL/FR
floral
citronellyl acetate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
phenethyl propionate
FL/FR
rhodinyl butyrate
FL/FR
fruity
benzyl isobutyrate
FL/FR
citronellyl anthranilate
FL/FR
(E)-
ethyl tiglate
FL/FR
geranyl butyrate
FL/FR
hexyl phenyl acetate
FL/FR
phenethyl isovalerate
FL/FR
rose butanoate
FL/FR
greasy
10-
undecen-1-yl acetate
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
geranyl formate
FL/FR
octyl formate
FL/FR
honey
phenethyl isobutyrate
FL/FR
waxy
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
woody
ambrette seed absolute
FL/FR
beta-
damascenone
FL/FR
delta-
damascone
FL/FR
 
Potential Uses:
FRfloral
FRfruit
FRrose
FLtropical
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 allyl isononylate
 allyl trimethyl hexanoate
5,5-allyl trimethyl hexanoate
 allyl trimethylhexoate
 hexanoic acid, methyl-, 2-propen-1-yl ester
 hexanoic acid, trimethyl-, 2-propenyl ester
 prop-2-en-1-yl 5,5-dimethylheptanoate
 prop-2-enyl 5,5-dimethyl heptanoate
 prop-2-enyl 5,5-dimethylheptanoate
2-propenyl 5,5-dimethyl heptanoate
2-propenyl trimethyl hexanoate
 trimethyl hexanoic acid 2-propenyl ester
 

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