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BT
 

octyl cinnamate
2-propenoic acid, 3-phenyl-, octyl ester, (2E)-

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CAS Number: 69038-78-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 273-842-1
Nikkaji Web: J332.794I
XlogP3: 6.00 (est)
Molecular Weight: 260.37668000
Formula: C17 H24 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
PubMed: Search
NCBI: Search
 
Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.99500 25.00 °C.
Boiling Point: 336.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000015 mm/Hg @ 25.00 °C. (est)
Flash Point: > 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 6.024 (est)
Soluble in:
 alcohol
 water, 0.233 mg/L @ 25 °C (est)
Similar Items: note
allyl cinnamate
amyl cinnamate
isoamyl cinnamate
benzyl cinnamate
butyl cinnamate
isobutyl cinnamate
cinnamyl cinnamate
citronellyl cinnamate
cyclohexyl cinnamate
ethyl alpha-acetyl cinnamate
ethyl cinnamate
heptyl cinnamate
(Z)-3-hexen-1-yl cinnamate
hexyl cinnamate
linalyl cinnamate
methyl cinnamate
phenethyl cinnamate
3-phenyl propyl cinnamate
propyl cinnamate
isopropyl cinnamate
terpinyl cinnamate
tetrahydrofurfuryl cinnamate
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength: medium
 balsamic cinnamyl opoponax
Odor Description:
at 100.00 %.
balsam cinnamate opoponax
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Penta International
OCTYL CINNAMATE
 
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
Recommendation for octyl cinnamate usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Recommendation for octyl cinnamate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5273468
National Institute of Allergy and Infectious Diseases: Data
 octyl (E)-3-phenylprop-2-enoate
Chemidplus: 0069038784
 
References:
 octyl (E)-3-phenylprop-2-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5273468
Pubchem (sid): 135249229
 
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
CHEMBL: View
HMDB (The Human Metabolome Database): Search
ChemSpider: View
 
Potential Blenders and core components note
For Odor
amber
cistus ladaniferus resinoid
FR
balsamic
balsam ketone
FR
(Z)-3-
hexen-1-yl cinnamate
FR
alpha-
methyl cinnamyl alcohol
FR
2-
phenoxyethyl formate
FR
herbal
ocimene oxirane
FR
spicy
black
poplar bud absolute
FR
For Flavor
 
Potential Uses:
 balsamFR
 genet genista broomFR
 heatherFR
 opoponaxFL/FR
 woodyFR
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
 octyl (2E)-3-phenylacrylate
 octyl (E)-3-phenylprop-2-enoate
3-phenyl acrylic acid octyl ester
3-phenylacrylic acid, octyl ester
2-propenoic acid, 3-phenyl-, octyl ester, (2E)-
 
 
Notes:
None found
 
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