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

(E)-cinnamyl butyrate
(E)-3-phenylprop-2-en-1-yl butanoate

Supplier Sponsors

Name:[(E)-3-phenylprop-2-enyl] butanoate
CAS Number: 78761-39-4Picture of molecule3D/inchi
FDA UNII:TKZ9V37P1G
Nikkaji Web:J35.105I
Beilstein Number:3200585
MDL:MFCD00027135
CoE Number:279
XlogP3-AA:3.10 (est)
Molecular Weight:204.26892000
Formula:C13 H16 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
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: Yes
Specific Gravity:1.01000 to 1.01500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.404 to 8.446
Refractive Index:1.52500 to 1.53000 @ 20.00 °C.
Boiling Point: 300.00 °C. @ 760.00 mm Hg
Boiling Point: 174.00 °C. @ 20.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 3.660 (est)
Soluble in:
 alcohol
 water, 22.29 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength:medium
Substantivity:152 hour(s) at 100.00 %
balsamic fruity cinnamyl
Odor Description:at 100.00 %. soft balsam fruity cinnamyl
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Sigma-Aldrich
trans-Cinnamyl butyrate, ≥96%, FCC
Odor: balsam; floral; fruity
Certified Food Grade Products
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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
Recommendation for (E)-cinnamyl butyrate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for (E)-cinnamyl butyrate flavor usage levels up to:
  15.0000 ppm in the finished product.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5355254
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(E)-3-phenylprop-2-enyl] butanoate
Chemidplus:0000103617
RTECS:ES8815000 for cas# 78761-39-4
 
References:
 [(E)-3-phenylprop-2-enyl] butanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5355254
Pubchem (sid):134972236
 
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:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
cinnamyl valerate
FL/FR
balsamic
balsamic
iso
amyl benzoate
FL/FR
benzyl cinnamate
FL/FR
butyl benzoate
FL/FR
iso
butyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
cinnamyl benzoate
FL/FR
cinnamyl cinnamate
FL/FR
cinnamyl formate
FL/FR
ethyl cinnamate
FL/FR
(Z)-3-
hexen-1-yl cinnamate
FR
hexyl cinnamate
FR
linalyl cinnamate
FL/FR
octyl benzoate
FR
octyl cinnamate
FR
peru balsam oil
FL/FR
2-
phenoxyethyl formate
FR
3-
phenyl propyl acetate
FL/FR
phenyl salicylate
FR
pine needle absolute
FL/FR
prenyl benzoate
FL/FR
propyl cinnamate
FL/FR
iso
propyl cinnamate
FL/FR
terpinyl butyrate
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
coconut
(R)-gamma-
nonalactone
FL/FR
earthy
octyl phenyl acetate
FL/FR
fatty
(S)-gamma-
decalactone
FL/FR
floral
alpha-
amyl cinnamyl acetate
FL/FR
benzyl acetone
FL/FR
benzyl alcohol
FL/FR
bois de rose oil brazil
FL/FR
cananga oil
FL/FR
cinnamyl phenyl acetate
FL/FR
coranol (Firmenich)
FR
dihydrolinalool
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
geranyl phenyl acetate
FL/FR
ho leaf oil
FR
ho wood oil
FR
hydroxycitronellal
FL/FR
laevo-
linalool
FL/FR
dextro-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
linalyl anthranilate
FL/FR
methyl jasmonate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
phytol
FL/FR
(Z,E)-
phytol
FL/FR
tetrahydrolinalool
FL/FR
fruity
allyl (E)-cinnamate
FL/FR
allyl cinnamate
FL/FR
balsam specialty
FR
cinnamyl hexanoate
FL/FR
cinnamyl isobutyrate
FL/FR
(E)-
cinnamyl propionate
FL/FR
ethyl methyl anthranilate
FL/FR
nerolidyl isobutyrate
FR
3-
phenyl propyl isobutyrate
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
picea glauca leaf absolute
FR
spicy
cinnamyl acetate
FL/FR
cinnamyl isovalerate
FL/FR
cinnamyl propionate
FL/FR
cubeb oil
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
spicy acetoacetate
FL/FR
tobacco
honey absolute
FL/FR
waxy
phytyl acetate
FL/FR
woody
cinnamyl tiglate
FL/FR
santalyl butyrate
FL/FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
allyl (E)-cinnamate
FL/FR
allyl cinnamate
FL/FR
butyl benzoate
FL/FR
cinnamyl benzoate
FL/FR
cinnamyl hexanoate
FL/FR
cinnamyl phenyl acetate
FL/FR
(E)-
cinnamyl propionate
FL/FR
cinnamyl tiglate
FL/FR
cinnamyl valerate
FL/FR
(S)-gamma-
decalactone
FL/FR
ethyl linalyl ether
FL/FR
ethyl methyl anthranilate
FL/FR
dextro-
linalool
FL/FR
methyl furfuracrylate
FL
(R)-gamma-
nonalactone
FL/FR
3-oxo
octanoic acid glyceride
FL
octyl phenyl acetate
FL/FR
phytyl acetate
FL/FR
pine needle absolute
FL/FR
prenyl benzoate
FL/FR
santalyl butyrate
FL/FR
terpinyl butyrate
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
balsamic
balsamic
iso
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
peru balsam oil
FL/FR
3-
phenyl propyl acetate
FL/FR
(Z,E)-
phytol
FL/FR
iso
propyl cinnamate
FL/FR
burnt
ethyl 2-furoate
FL
citrus
linalool
FL/FR
laevo-
linalool
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
floral
bois de rose oil brazil
FL/FR
cananga oil
FL/FR
cinnamyl propionate
FL/FR
dihydrolinalool
FL/FR
geranyl phenyl acetate
FL/FR
linalyl anthranilate
FL/FR
methyl jasmonate
FL/FR
tetrahydrolinalool
FL/FR
fruity
iso
amyl benzoate
FL/FR
benzyl acetone
FL/FR
benzyl alcohol
FL/FR
cinnamyl isobutyrate
FL/FR
cinnamyl isovalerate
FL/FR
linalyl cinnamate
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
propyl cinnamate
FL/FR
green
cinnamyl alcohol
FL/FR
linalool oxide
FL/FR
herbal
3,6-
dimethyl-3-octanol
FL/FR
honey
honey absolute
FL/FR
oily
iso
phytol
FL/FR
spicy
benzyl cinnamate
FL/FR
cinnamyl acetate
FL/FR
cinnamyl cinnamate
FL/FR
cinnamyl formate
FL/FR
cubeb oil
FL/FR
spicy acetoacetate
FL/FR
waxy
hydroxycitronellal
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
 
Potential Uses:
FRapple
 apple crabapple
FRbalsam
FRbanana
FRfloral
FRhoney
FRlily
FRlily of the valley
FRpeach
FRpear
FRrose
FRsweet pea
FRtuberose
FL/FRvalerian
FRwisteria
 
Occurrence (nature, food, other):note
 apple fruit
Search PMC Picture
 
Synonyms:
 butanoic acid, (2E)-3-phenyl-2-propen-1-yl ester
trans-cinnamyl butyrate
(2E)-3-phenylprop-2-en-1-yl butanoate
(E)-3-phenylprop-2-en-1-yl butanoate
(2E)-3-phenylprop-2-en-1-yl butyrate
(E)-3-phenylprop-2-en-1-yl butyrate
[(E)-3-phenylprop-2-enyl] butanoate
 
 
Notes:
None found
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