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

cinnamyl isovalerate
3-phenyl-2-propenyl 3-methyl butanoate

Supplier Sponsors

Fragrance Demo Formulas
Name:3-phenylprop-2-enyl 3-methylbutanoate
CAS Number: 140-27-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:205-407-9
FDA UNII:5JHK9Y2XRM
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)
Also(can) Contains:(E)-cinnamyl isovalerate
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
JECFA Food Flavoring:654 cinnamyl isovalerate
FLAVIS Number:09.459 (Old)
DG SANTE Food Flavourings:09.459 cinnamyl isovalerate
FEMA Number:2302 cinnamyl isovalerate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: CINNAMYL ISOVALERATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: Yes
Specific Gravity:0.99200 to 0.99600 @ 25.00 °C.
Pounds per Gallon - (est).: 8.254 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: 1.00 max. KOH/g
Vapor Pressure:0.000260 mm/Hg @ 25.00 °C. (est)
Vapor Density:7.5 ( Air = 1 )
Flash Point:> 212.00 °F. TCC ( > 100.00 °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
Similar Items:note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
 
Organoleptic Properties:
Odor Type: spicy
Odor Strength:medium
Substantivity:100 hour(s) at 100.00 %
sweet spicy melon cherry apple green apple
Odor Description:at 100.00 %. sweet spice melon cherry green apple
Luebke, William tgsc, (1985)
Odor sample from: Elan Inc.
sour fermented winey yeasty woody fruity
Odor Description:at 1.00 %. Sour, fermented and winey, yeasty with woody and fruity nuances
Mosciano, Gerard P&F 25, No. 4, 71, (2000)
Flavor Type: fruity
fruity winey fermented pear honey blueberry
Taste Description: at 1.00 - 10.00 ppm. Fruity, winey, fermented with pear, honey blueberry nuances
Mosciano, Gerard P&F 25, No. 4, 71, (2000)
Odor and/or flavor descriptions from others (if found).
Frutarom
CINNAMYL ISOVALERATE
Odor Description:Fruity, Green, Rose, Spicy, Sweet.
Suggested Uses: Apricot, Bakery, Cherry, Dairy Products, Hard Fruits, Peach, Soft Fruits, Strawberry
Taste Description:fruity cherry melon pineapple green
Ernesto Ventós
CINNAMYL ISOVALERATE
Odor Description:SPICY, FLORAL, FRUITY, ROSE
Taste Description:APPLE-LIKE
Moellhausen
CINNAMYL ISOVALERATE
Odor Description:soft aromatic, balsamic, slightly fruity
Taste Description:soft aromatic, balsamic, fruity; cherry, melon and pineapple with green nuances
Indukern F&F
CINNAMYL ISOVALERATE
Odor Description:AROMATIC, SWEET, BALSAMIC, SPICY
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Alfrebro
CINNAMYL ISOVALERATE NATURAL
Odor: Spicy, Floral, Fruity
Beijing Lys Chemicals
Cinnamyl isovalerate
Charkit Chemical
CINNAMYL ISOVALERATE C0250 FEMA 2302
Citrus and Allied Essences
Cinnamyl Isovalerate FCC, kosher
Market Report
Ernesto Ventós
CINNAMYL ISOVALERATE
Odor: SPICY, FLORAL, FRUITY, ROSE
Flavor: APPLE-LIKE
Fleurchem
cinnamyl isovalerate natural
Frutarom
CINNAMYL ISOVALERATE
Odor: Fruity, Green, Rose, Spicy, Sweet.
Use: Suggested Uses: Apricot, Bakery, Cherry, Dairy Products, Hard Fruits, Peach, Soft Fruits, Strawberry
Indukern F&F
CINNAMYL ISOVALERATE
Odor: AROMATIC, SWEET, BALSAMIC, SPICY
Inoue Perfumery
CINNAMYL ISOVALERATE
M&U International
NAT. CINNAMYL ISOVALERATE
Moellhausen
CINNAMYL ISOVALERATE
Odor: soft aromatic, balsamic, slightly fruity
Flavor: soft aromatic, balsamic, fruity; cherry, melon and pineapple with green nuances
Penta International
CINNAMYL ISOVALERATE FCC, Kosher
Penta International
CINNAMYL ISOVALERATE, NATURAL, Kosher
R C Treatt & Co Ltd
Cinnamyl Isovalerate
Reincke & Fichtner
Cinnamyl Isovalerate
Santa Cruz Biotechnology
For experimental / research use only.
Cinnamyl Isovalerate
Synerzine
Cinnamyl Isovalerate
Taytonn
Cinnamyl Isovalerate
Odor: Floral, Fruity, Green, Spicy, Sweet
TCI AMERICA
For experimental / research use only.
Cinnamyl Isovalerate >97.0%(GC)
Vigon International
Cinnamyl Isovalerate
Odor: SPICY, FLORAL, FRUITY
WEN International
CINNAMYL ISOVALERATE Natural
WholeChem
Cinnamyl isovalerate
 
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.
Human Experience:
2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 857, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 857, 1974.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
maximum skin levels for fine fragrances:
  0.0020 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2001)
Recommendation for cinnamyl isovalerate usage levels up to:
  4.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
  0.0300 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0008 mg/kg/day (IFRA, 2001)
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.90 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 8.00 (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
 average usual ppmaverage maximum ppm
baked goods: -3.60000
beverages(nonalcoholic): -2.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 19.0000030.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.60000
fruit ices: -2.60000
gelatins / puddings: -11.00000
granulated sugar: --
gravies: --
hard candy: -4.10000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 214: alpha,beta-Unsaturated aldehydes and precursors from chemical subgroup 3.1 of FGE.19: Cinnamyl derivatives[1]
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008)
View page or View pdf

Safety and efficacy of aryl-substituted primary alcohol, aldehyde, acid, ester and acetal derivatives belonging to chemical group 22 when used as flavourings for all animal species
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):140-27-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61091
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-phenylprop-2-enyl 3-methylbutanoate
Chemidplus:0000140272
RTECS:EK7902515 for cas# 140-27-2
 
References:
 3-phenylprop-2-enyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:140-27-2
Pubchem (cid):61091
Pubchem (sid):135017147
Pherobase:View
 
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
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB41318
FooDB:FDB021237
Export Tariff Code:2916.19.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
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
3-
phenyl propyl alcohol
FL/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
ethyl formate
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
methyl decanoate
FL/FR
3-
methyl-1-pentanol
FL/FR
propyl nonanoate
FL/FR
valeraldehyde
FL/FR
floral
citronellyl valerate
FL/FR
dimethyl anthranilate
FL/FR
phenethyl butyrate
FL/FR
phenethyl pivalate
FL/FR
fruity
iso
amyl 2-methyl butyrate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
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 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
ethyl heptanoate
FL/FR
ethyl isovalerate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
geranyl isovalerate
FL/FR
grape butyrate
FL/FR
green acetate
FR
heptyl valerate
FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl nonanoate
FL/FR
2-
pentanone
FL/FR
propyl 2,4-decadienoate
FL/FR
propyl heptanoate
FL/FR
sorbyl butyrate
FL/FR
green
iso
amyl formate
FL/FR
benzaldehyde dimethyl acetal
FL/FR
green
cognac oil
FL/FR
hexanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexyl isobutyrate
FL/FR
hexyl phenyl acetate
FL/FR
manzanate (Givaudan)
FL/FR
marigold pot flower
CS
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
2-
pentenal
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
tagete oil india
FL/FR
honey
methyl hydrocinnamate
FL/FR
melon
melon carboxaldehyde
FR
watermelon ketone
FR
roasted
2-
methyl-1-butanol
FL/FR
spicy
(E)-
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
lariciu
pine needle oil
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
citronellyl valerate
FL/FR
9-
decen-2-one
FL
diethyl laevo-tartrate
FL/FR
diethyl malate
FL/FR
ethyl aconitate
FL
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
hexanal dimethyl acetal
FL/FR
2-
hexanol
FL/FR
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
methyl 3-hydroxybutyrate
FL
methyl furfuracrylate
FL
methyl hydrocinnamate
FL/FR
2-
methyl-1-butanol
FL/FR
2-
pentenal
FL/FR
phenethyl senecioate
FL/FR
propyl nonanoate
FL/FR
sorbyl propionate
FL
tetrahydrofurfuryl cinnamate
FL/FR
balsamic
balsamic
iso
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
peru balsam oil
FL/FR
phenethyl pivalate
FL/FR
berry
raspberry ketone acetate
FL/FR
coffee
diisoamyl thiomalate
FL
cooling
manzanate (Givaudan)
FL/FR
creamy
3-
octen-2-one
FL/FR
estery
ethyl acetoacetate
FL/FR
ethereal
iso
butyl alcohol
FL/FR
ethyl formate
FL/FR
fatty
iso
amyl laurate
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 valerate
FL/FR
apple ketal
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
(E)-
cinnamyl isovalerate
FL/FR
diethyl malonate
FL/FR
diethyl sebacate
FL/FR
dimethyl anthranilate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl isovalerate
FL/FR
hexyl acetate
FL/FR
hexyl phenyl acetate
FL/FR
linalyl cinnamate
FL/FR
methyl 2-methyl butyrate
FL/FR
2-
pentanone
FL/FR
phenethyl butyrate
FL/FR
sorbyl butyrate
FL/FR
terpinyl cinnamate
FL/FR
fusel
white
cognac oil
FL/FR
green
cognac oil
FL/FR
green
iso
amyl formate
FL/FR
benzaldehyde dimethyl acetal
FL/FR
cinnamyl alcohol
FL/FR
geranyl isovalerate
FL/FR
grape butyrate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl isobutyrate
FL/FR
4-
methyl-2-pentenal
FL
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
clary sage concrete
FL/FR
iso
dihydrolavandulal
FL/FR
tagete oil india
FL/FR
melon
propyl 2,4-decadienoate
FL/FR
musty
propionaldehyde
FL
spicy
3-
phenyl propyl alcohol
FL/FR
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
valeraldehyde
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
 champaca concrete @ 0.01%
Data GC Search Trop Picture
 
Synonyms:
 cinnamyl 3-methyl butanoate
 cinnamyl 3-methyl butyrate
 cinnamyl isovalerate FCC
 cinnamyl isovalerate natural
 cinnamyl isovalerianate
3-methyl butanoic acid 3-phenyl-2-propenyl ester
3-phenyl allyl 3-methyl butanoate
3-phenyl allyl isovalerate
3-phenyl-2-propen-1-yl 3-methyl butanoate
3-phenyl-2-propenyl 3-methyl butanoate
3-phenylprop-2-enyl 3-methylbutanoate
isovaleric acid cinnamyl ester
 
 
Notes:
Tea rose modifier. Used in food flavouring
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