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

(E)-cinnamyl isovalerate
butanoic acid, 3-methyl-, (2E)-3-phenyl-2-propen-1-yl ester

Supplier Sponsors

Name:[(E)-3-phenylprop-2-enyl] 3-methylbutanoate
CAS Number: 69121-78-4Picture of molecule3D/inchi
FDA UNII:5JHK9Y2XRM
Nikkaji Web:J503.383G
Beilstein Number:3201227
MDL:MFCD00048351
CoE Number:454
XlogP3:3.90 (est)
Molecular Weight:218.29586000
Formula:C14 H18 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
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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: Yes
Specific Gravity:0.99100 to 0.99600 @ 25.00 °C.
Pounds per Gallon - (est).: 8.246 to 8.288
Refractive Index:1.51800 to 1.52400 @ 20.00 °C.
Boiling Point: 313.00 to 315.00 °C. @ 760.00 mm Hg
Acid Value: 3.00 max. KOH/g
Vapor Pressure:0.000260 mm/Hg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 4.013 (est)
Soluble in:
 alcohol
 fixed oils
 water, 8.282 mg/L @ 25 °C (est)
Insoluble in:
 water
 propylene glycol
 glycerin
 
Organoleptic Properties:
Odor Type: spicy
Odor Strength:medium
Substantivity:100 hour(s) at 100.00 %
sweet spicy melon cherry apple green apple blueberry
Odor Description:at 100.00 %. sweet spice melon cherry green apple blueberry
Flavor Type: fruity
fruity cherry melon pineapple green
Taste Description: fruity cherry melon pineapple green
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
trans-Cinnamyl Isovalerate
Sigma-Aldrich
trans-Cinnamyl isovalerate, ≥95%, FCC, FG
Odor: balsam; blueberry; grape; honey; spicy; fruity; pear; rose; sour; wine-like; woody .
Certified Food Grade Products
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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 isovalerate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5355855
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(E)-3-phenylprop-2-enyl] 3-methylbutanoate
Chemidplus:0000140272
RTECS:EK7902515 for cas# 69121-78-4
 
References:
 [(E)-3-phenylprop-2-enyl] 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5355855
Pubchem (sid):135017147
 
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
anisic
para-
acetanisole
FL/FR
balsamic
iso
butyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
cinnamyl butyrate
FL/FR
ethyl cinnamate
FL/FR
(Z)-3-
hexen-1-yl cinnamate
FR
linalyl cinnamate
FL/FR
octyl cinnamate
FR
peru balsam oil
FL/FR
2-
phenoxyethyl formate
FR
terpinyl cinnamate
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
berry
raspberry ketone acetate
FL/FR
caramellic
diethyl malate
FL/FR
earthy
amyl octanoate
FL/FR
3-
octen-2-one
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
iso
butyl alcohol
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
methyl decanoate
FL/FR
3-
methyl-1-pentanol
FL/FR
propyl nonanoate
FL/FR
floral
dimethyl anthranilate
FL/FR
para-
methyl acetophenone
FL/FR
phenethyl butyrate
FL/FR
phenethyl pivalate
FL/FR
fruity
iso
amyl 2-methyl butyrate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
benzaldehyde glycrol acetal
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
iso
butyl hexanoate
FL/FR
butyl hexanoate
FL/FR
butyl isovalerate
FL/FR
cherry oxyacetate
FL/FR
cherry propanol
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl malonate
FL/FR
diethyl sebacate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
ethyl benzoyl acetate
FL/FR
ethyl heptanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
geranyl isovalerate
FL/FR
green acetate
FR
heptyl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
methyl 2-methyl butyrate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl nonanoate
FL/FR
2-
pentanone
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl 2,4-decadienoate
FL/FR
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
sorbyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
green
cognac oil
FL/FR
ethyl (E)-4-decenoate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl phenyl acetate
FL/FR
lilac acetaldehyde
FL/FR
manzanate (Givaudan)
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
iso
amyl tiglate
FL/FR
clary sage concrete
FL/FR
white
cognac oil
FL/FR
iso
dihydrolavandulal
FL/FR
ethyl chrysanthemate
FR
phenethyl senecioate
FL/FR
pinocarveol
FL/FR
honey
methyl hydrocinnamate
FL/FR
melon
melon carboxaldehyde
FR
watermelon ketone
FR
roasted
2-
methyl-1-butanol
FL/FR
spicy
cinnamyl isovalerate
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl laurate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
woody
iso
bornyl isovalerate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
amyl octanoate
FL/FR
iso
amyl tiglate
FL/FR
2-
amyl-5 or 6-keto-1,4-dioxane
FL
butyl angelate
FL/FR
iso
butyraldehyde propylene glycol acetal
FL
diethyl laevo-tartrate
FL/FR
diethyl malate
FL/FR
ethyl aconitate
FL
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
2-
hexanol
FL/FR
2-
hexenal diethyl acetal
FL
methyl furfuracrylate
FL
methyl hydrocinnamate
FL/FR
2-
methyl-1-butanol
FL/FR
phenethyl senecioate
FL/FR
propyl nonanoate
FL/FR
sorbyl propionate
FL
tetrahydrofurfuryl cinnamate
FL/FR
anisic
anisic
para-
acetanisole
FL/FR
balsamic
iso
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
peru balsam oil
FL/FR
phenethyl pivalate
FL/FR
berry
heptyl isobutyrate
FL/FR
raspberry ketone acetate
FL/FR
camphoreous
pinocarveol
FL/FR
coffee
diisoamyl thiomalate
FL
cooling
manzanate (Givaudan)
FL/FR
creamy
para-
methyl acetophenone
FL/FR
3-
octen-2-one
FL/FR
estery
ethyl acetoacetate
FL/FR
ethereal
iso
butyl alcohol
FL/FR
fatty
iso
amyl laurate
FL/FR
ethyl (E)-4-decenoate
FL/FR
methyl decanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
fruity
iso
amyl 2-methyl butyrate
FL/FR
iso
amyl acetoacetate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
benzaldehyde glycrol acetal
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
iso
butyl hexanoate
FL/FR
butyl hexanoate
FL/FR
butyl isovalerate
FL/FR
cherry oxyacetate
FL/FR
cherry propanol
FL/FR
cinnamyl isovalerate
FL/FR
diethyl malonate
FL/FR
diethyl sebacate
FL/FR
dimethyl anthranilate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-methyl butyrate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-oxohexanoate
FL
ethyl benzoyl acetate
FL/FR
ethyl heptanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
hexyl acetate
FL/FR
hexyl phenyl acetate
FL/FR
lilac acetaldehyde
FL/FR
linalyl cinnamate
FL/FR
methyl 2-methyl butyrate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
(Z)-5-
octen-1-yl acetate
FL
2-
pentanone
FL/FR
phenethyl butyrate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
sorbyl butyrate
FL/FR
terpinyl cinnamate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
fusel
green
cognac oil
FL/FR
white
cognac oil
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
cinnamyl alcohol
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl isobutyrate
FL/FR
4-
methyl-2-pentenal
FL
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
clary sage concrete
FL/FR
iso
dihydrolavandulal
FL/FR
melon
propyl 2,4-decadienoate
FL/FR
musty
propionaldehyde
FL
vegetable
2-
octen-4-one
FL/FR
waxy
allyl nonanoate
FL/FR
butyl undecylenate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
cinnamyl butyrate
FL/FR
methyl nonanoate
FL/FR
woody
iso
bornyl isovalerate
FL/FR
 
Potential Uses:
FRapple
FRapricot
FRblueberry
FLbread
FRcherry
FRgrape
FRmaple
 melon watermelon muskmelon cantaloupe
FRpeach
FRpear
FLpepper tabasco pepper
FRpineapple
FRplum
FRrose
FRrose tea rose
FRspice
FRstrawberry
FLwalnut
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 butanoic acid, 3-methyl-, (2E)-3-phenyl-2-propen-1-yl ester
trans-cinnamyl isovalerate
(2E)-3-phenylprop-2-en-1-yl 3-methylbutanoate
[(E)-3-phenylprop-2-enyl] 3-methylbutanoate
 
 
Notes:
None found
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