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

isobutyl cinnamate
cinnamic acid isobutyl ester

Sponsors

Name:2-methylpropyl 3-phenylprop-2-enoate
CAS Number: 122-67-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-564-0
FDA UNII:4NCI0MR7KP
MDL:MFCD00038289
CoE Number:327
XlogP3:4.00 (est)
Molecular Weight:204.26892000
Formula:C13 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:2-methylpropyl (E)-3-phenylprop-2-enoate
CAS Number: 122-67-8 (E)Picture of molecule3D/inchi
XlogP3:4.00 (est)
Molecular Weight:204.26892000
Formula:C13 H16 O2
BioActivity Summary:listing
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
JECFA Food Flavoring:664 isobutyl cinnamate
Flavis Number:09.734 (Old)
DG SANTE Food Flavourings:09.734 isobutyl cinnamate
FEMA Number:2193 isobutyl cinnamate
FDA Mainterm: ISOBUTYL CINNAMATE
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: 97.00 to 100.00
Food Chemicals Codex Listed: Yes
Specific Gravity:1.00100 to 1.00400 25.00 °C.
Pounds per Gallon - (est).: 8.329 to 8.354
Refractive Index:1.53500 to 1.54100 @ 20.00 °C.
Boiling Point: 287.00 °C. @ 760.00 mm Hg
Boiling Point: 145.00 °C. @ 13.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.002000 mm/Hg @ 20.00 °C.
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 3.830 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 fixed oils
 water, 25.75 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl cinnamate
amyl cinnamate
isoamyl cinnamate
benzyl cinnamate
butyl 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
octyl cinnamate
phenethyl cinnamate
3-phenyl propyl cinnamate
propyl cinnamate
isopropyl cinnamate
terpinyl cinnamate
tetrahydrofurfuryl cinnamate
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength:medium
Substantivity:168 hour(s) at 100.00 %
sweet balsamic fruity labdanum
Odor Description:at 100.00 %. sweet balsam fruity like labdanum
Luebke, William tgsc, (1988)
sweet fruity balsamic spicy
Odor Description:Sweet, fruity, balsamic and spice-like
Mosciano, Gerard P&F 15, No. 2, 69, (1990)
Flavor Type: balsamic
balsamic fruity chemical
Taste Description: at 30.00 ppm. Balsamic, fruity and chemical-like
Mosciano, Gerard P&F 15, No. 2, 69, (1990)
Odor and/or flavor descriptions from others (if found).
Apiscent Labs
ISOBUTYL CINNAMATE
Odor Description:Sweet, fruity, peach, balsamic
Prodasynth
isoBUTYL CINNAMATE >98
Odor Description:SWEET, FRUITY, BALSAMIC
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Apiscent Labs
ISOBUTYL CINNAMATE
Odor: Sweet, fruity, peach, balsamic
Beijing Lys Chemicals
isoButyl Cinnamate
Berjé
isoButyl Cinnamate
Happening at Berje
BOC Sciences
For experimental / research use only.
isoButyl Cinnamate
CG Herbals
isoButyl Cinnamate
Creatingperfume.com
isoButyl Cinnamate
Odor: Sweet, fruity, balsamic and spice-like, peach, honey, Chocolate
Diffusions Aromatiques
isoBUTYL CINNAMATE
FCI SAS
ISOBUTYL CINNAMATE
Odor: Sweet, fruity, peach, balsamic
Flavor: Sweet, taste reminiscent of currant
Frutarom
isoBUTYL CINNAMATE FCC
Indukern F&F
ISOBUTYL CINNAMATE
Odor: SWEET, FRUITY, PEACH, BALSAMIC
Inoue Perfumery
isoBUTYL CINNAMATE
Lluch Essence
isoBUTYL CINNAMATE
M&U International
isoBUTYL CINNAMATE, Kosher
Moellhausen
IsoBUTYL CINNAMATE
Pearlchem Corporation
isoButyl Cinnamate
Penta International
ISOBUTYL CINNAMATE, Kosher
Prodasynth
isoBUTYL CINNAMATE >98
Odor: SWEET, FRUITY, BALSAMIC
Sigma-Aldrich
Isobutyl cinnamate, ≥98%, FCC, FG
Odor: fruity; peach; sweet
Certified Food Grade Products
Synerzine
isoButyl Cinnamate
The Good Scents Company
isobutyl cinnamate
Odor: sweet balsam fruity like labdanum
Vigon International
Isobutyl Cinnamate
Odor: CHOCOLATE, HONEY
 
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 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)
Acute toxicity, Oral (Category 4), H302
Skin corrosion/irritation (Category 3), H316
Serious eye damage/eye irritation (Category 2A), H320
GHS Label elements, including precautionary statements
 
Pictogramexclamation-mark.jpg
 
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
H316 - Causes mild skin irritation
H320 - Causes eye irritation
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
One group of 10 animals received 5000 mg/kg, mortality 2/10, only summary available.
(Levenstein, 1975g)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
maximum skin levels for fine fragrances:
  0.1000 % 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 isobutyl cinnamate usage levels up to:
  4.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
  0.5000 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0125 mg/kg/day (IFRA, 2001)
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (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: -5.40000
beverages(nonalcoholic): -1.30000
beverages(alcoholic): -2.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.40000
fruit ices: -3.40000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -5.40000
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):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
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
EPI System: View
EPA Substance Registry Services (TSCA):122-67-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31223
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-methylpropyl 3-phenylprop-2-enoate
Chemidplus:0000122678
RTECS:GD9550000 for cas# 122-67-8
2-methylpropyl (E)-3-phenylprop-2-enoate
 
References:
 2-methylpropyl 3-phenylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122-67-8
Pubchem (cid):31223
Pubchem (sid):134974046
Pherobase:View
 2-methylpropyl (E)-3-phenylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122-67-8
Pubchem (cid):778574
Pubchem (sid):173257
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB37703
FooDB:FDB016831
Export Tariff Code:2916.12.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
amber
cistus ladaniferus resinoid
FR
animal
animal carbolactone
FR
iso
butyl quinoline
FR
costus valerolactone
FR
indole
FL/FR
anisic
para-
anisaldehyde
FL/FR
balsamic
2-
acetyl furan
FL/FR
iso
amyl benzoate
FL/FR
amyris wood oil
FL/FR
siam
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
benzyl cinnamate
FL/FR
benzyl salicylate
FL/FR
iso
butyl benzoate
FL/FR
cinnamyl alcohol
FL/FR
(E)-
cinnamyl butyrate
FL/FR
cinnamyl formate
FL/FR
clover nitrile
FR
ethyl cinnamate
FL/FR
fir balsam absolute
FR
methyl (E)-cinnamate
FL/FR
methyl cinnamate
FL/FR
peru balsam oil
FL/FR
3-
phenyl propyl alcohol
FL/FR
pine needle absolute
FL/FR
prenyl benzoate
FL/FR
iso
propyl cinnamate
FL/FR
terpinyl butyrate
FL/FR
berry
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
buttery
acetoin
FL/FR
caramellic
ethyl maltol
FL/FR
maltol
FL/FR
strawberry furanone
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
ethereal
methyl ethyl ketone
FL/FR
floral
acetophenone
FL/FR
alpha-
amyl cinnamyl acetate
FL/FR
iso
amyl salicylate
FL/FR
benzyl acetate
FL/FR
benzyl alcohol
FL/FR
benzyl isobutyrate
FL/FR
bois de rose oil brazil
FL/FR
iso
butyl salicylate
FL/FR
citronellol
FL/FR
coriander seed oil
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
dihydrojasmone
FL/FR
dimethyl anthranilate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
ethyl phenyl acetate
FL/FR
floral pyranol
FR
geraniol
FL/FR
geranyl phenyl acetate
FL/FR
heliotropin
FL/FR
heliotropyl acetone
FL/FR
heliotropyl diethyl acetal
FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
ho leaf oil
FR
hyacinth ether
FR
hydroxycitronellal
FL/FR
linalool
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
para-
methyl acetophenone
FL/FR
methyl dihydrojasmonate
FL/FR
nerol
FL/FR
nerolidol
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl salicylate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
rhodinol
FL/FR
rose butanoate
FL/FR
tetrahydrolinalool
FL/FR
violet methyl carbonate
FR
ylang ylang flower oil
FL/FR
fruity
allyl (E)-cinnamate
FL/FR
allyl cinnamate
FL/FR
artemisia pallens herb oil
FL/FR
balsam specialty
FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
(E)-
cinnamyl propionate
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
green
picea glauca leaf absolute
FR
violet leaf absolute
FL/FR
hay
hay absolute
FR
herbal
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
linalyl acetate
FL/FR
melon
watermelon ketone
FR
mossy
oakmoss absolute
FL/FR
veramoss (IFF)
FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
allspice oil
FL/FR
cassia bark oil china
FL/FR
clove bud oil
FL/FR
black
currant bud absolute
FL/FR
eugenol
FL/FR
iso
eugenyl acetate
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
methyl isoeugenol
FL/FR
nutmeg oil
FL/FR
terpenic
cypress leaf oil
FR
alpha-
terpineol
FL/FR
tobacco
honey absolute
FL/FR
tonka
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
waxy
decyl acetate
FL/FR
phytyl acetate
FL/FR
woody
amber carbinol
FR
cistus twig/leaf oil
FL/FR
guaiacwood oil
FL/FR
gurjun balsam oil
FR
patchouli ethanone
FR
patchouli oil
FL/FR
santall
FR
santalyl butyrate
FL/FR
tobacarol (IFF)
FR
vetiver oil haiti
FL/FR
woody acetate
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
allyl (E)-cinnamate
FL/FR
allyl cinnamate
FL/FR
(E)-
cinnamyl butyrate
FL/FR
(E)-
cinnamyl propionate
FL/FR
cistus twig/leaf oil
FL/FR
methyl (E)-cinnamate
FL/FR
phytyl acetate
FL/FR
pine needle absolute
FL/FR
prenyl benzoate
FL/FR
santalyl butyrate
FL/FR
terpinyl butyrate
FL/FR
animal
animal
indole
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
benzyl salicylate
FL/FR
ethyl cinnamate
FL/FR
peru balsam oil
FL/FR
iso
propyl cinnamate
FL/FR
berry
heliotropyl acetone
FL/FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
burnt
ethyl 2-furoate
FL
caramellic
ethyl maltol
FL/FR
maltol
FL/FR
strawberry furanone
FL/FR
chemical
methyl ethyl ketone
FL/FR
cherry
heliotropin
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
linalool
FL/FR
laevo-
linalool
FL/FR
nerol
FL/FR
alpha-
terpineol
FL/FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
cooling
iso
butyl salicylate
FL/FR
creamy
acetoin
FL/FR
para-
anisaldehyde
FL/FR
para-
methyl acetophenone
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
fatty
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
bois de rose oil brazil
FL/FR
citronellol
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geraniol
FL/FR
geranyl phenyl acetate
FL/FR
linalyl acetate
FL/FR
methyl dihydrojasmonate
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
rhodinol
FL/FR
tetrahydrolinalool
FL/FR
ylang ylang flower oil
FL/FR
fruity
iso
amyl benzoate
FL/FR
para-
anisyl alcohol
FL/FR
artemisia pallens herb oil
FL/FR
benzyl acetate
FL/FR
benzyl alcohol
FL/FR
benzyl isobutyrate
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
iso
butyl benzoate
FL/FR
dimethyl anthranilate
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
rose butanoate
FL/FR
green
iso
amyl salicylate
FL/FR
cinnamyl alcohol
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
linalool oxide
FL/FR
nerolidol
FL/FR
oakmoss absolute
FL/FR
violet leaf absolute
FL/FR
herbal
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
coriander seed oil
FL/FR
honey
ethyl phenyl acetate
FL/FR
honey absolute
FL/FR
phenethyl isobutyrate
FL/FR
medicinal,
phenethyl salicylate
FL/FR
nutty
2-
acetyl furan
FL/FR
powdery
acetophenone
FL/FR
beta-
naphthyl ethyl ether
FL/FR
spicy
allspice oil
FL/FR
benzyl cinnamate
FL/FR
cassia bark oil china
FL/FR
cinnamyl formate
FL/FR
clove bud oil
FL/FR
black
currant bud absolute
FL/FR
eugenol
FL/FR
iso
eugenyl acetate
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
methyl cinnamate
FL/FR
methyl isoeugenol
FL/FR
nutmeg oil
FL/FR
3-
phenyl propyl alcohol
FL/FR
vanilla
ethyl vanillin
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
waxy
decyl acetate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
woody
amyris wood oil
FL/FR
guaiacwood oil
FL/FR
patchouli oil
FL/FR
vetiver oil haiti
FL/FR
 
Potential Uses:
 amberFR
 balsamFR
 cherryFR
 chocolate cocoa 
 chypreFR
 clover trefle le'trefle incarnatFR
 currantFR
 fern fougereFR
 grapeFR
 heatherFR
 herbalFR
 honey mielFR
 kumquatFR
 labdanumFL/FR
 oakmoss mousse de chene mossFR
 orchidFR
 orientalFR
 outdoors freshFR
 peachFR
 plumFR
 raspberryFR
 strawberryFR
 tobaccoFR
 tweed 
 vanillaFR
 woodyFR
 
Occurrence (nature, food, other):note
 kumquat peel oil
Search Trop Picture
 
Synonyms:
isobutyl 3-phenyl propenoate
isobutyl 3-phenylacrylate
isobutyl beta-phenyl acrylate
isobutyl cinnamate FCC
 cinnamic acid isobutyl ester
 labdanol
2-methyl propyl 3-phenyl propenoate
2-methyl propyl 3-phenyl-2-propenoate
2-methyl propyl beta-phenyl acrylate
2-methyl propyl cinnamate
2-methylpropyl 3-phenylprop-2-enoate
3-phenyl-2-propenoic acid 2-methyl propyl ester
2-propenoic acid, 3-phenyl-, 2-methylpropyl ester
 
 
Notes:
Blender and fixer. Flavouring ingredient
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