isobutyl cinnamate
 
Notes:
Blender and fixer. Flavouring ingredient
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2-methylpropyl 3-phenylprop-2-enoate (Click)
CAS Number: 122-67-8Picture of molecule
ECHA EINECS - REACH Pre-Reg: 204-564-0
FDA UNII:4NCI0MR7KP
MDL: MFCD00038289
FEMA Number: 2193
CoE Number: 327
XlogP3: 4.00 (est)
Molecular Weight: 204.26892000
Formula: C13 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
2-methylpropyl (E)-3-phenylprop-2-enoate (Click)
CAS Number: 122-67-8  (E)Picture of molecule
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.
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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
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Organoleptic Properties:
Odor Type: balsamic
Odor Strength: medium
Odor Description:
at 100.00 %. 
sweet balsam fruity like labdanum
Substantivity: 168 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Safety 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.
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
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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
Click here to view publication 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: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of cinnamyl derivatives used as flavor ingredients.View pdf
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
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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
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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
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Potential Blenders and core components note
 
For Odor
aldehydic
10-undecenal (aldehyde C-11 undecylenic)FL/FR
amber
 cistus ladaniferus resinoidFR
animal
 animal carbolactoneFR
isobutyl quinolineFR
 costus valerolactoneFR
 indoleFL/FR
anisic
para-anisaldehydeFL/FR
balsamic
2-acetyl furanFL/FR
isoamyl benzoateFL/FR
 amyris wood oilFL/FR
siam benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl salicylateFL/FR
isobutyl benzoateFL/FR
 cinnamyl alcoholFL/FR
(E)-cinnamyl butyrateFL/FR
 cinnamyl formateFL/FR
 clover nitrileFR
 ethyl cinnamateFL/FR
 fir balsam absoluteFR
 methyl (E)-cinnamateFL/FR
 methyl cinnamateFL/FR
 peru balsam oilFL/FR
3-phenyl propyl alcoholFL/FR
 pine needle absoluteFL/FR
 prenyl benzoateFL/FR
isopropyl cinnamateFL/FR
 terpinyl butyrateFL/FR
berry
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
buttery
 acetoinFL/FR
caramellic
 ethyl maltolFL/FR
 maltolFL/FR
 strawberry furanoneFL/FR
chocolate
isoamyl phenyl acetateFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
coconut
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
ethereal
 methyl ethyl ketoneFL/FR
floral
 acetophenoneFL/FR
alpha-amyl cinnamyl acetateFL/FR
isoamyl salicylateFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 bois de rose oil brazilFL/FR
isobutyl salicylateFL/FR
 citronellolFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl phenyl acetateFL/FR
 floral pyranolFR
 geraniolFL/FR
 geranyl phenyl acetateFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
para-methyl acetophenoneFL/FR
 methyl dihydrojasmonateFL/FR
 nerolFL/FR
 nerolidolFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl salicylateFL/FR
4-phenyl-3-buten-2-olFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 tetrahydrolinaloolFL/FR
 violet methyl carbonateFR
 ylang ylang flower oilFL/FR
fruity
 allyl (E)-cinnamateFL/FR
 allyl cinnamateFL/FR
 artemisia pallens herb oilFL/FR
 balsam specialtyFR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
(E)-cinnamyl propionateFL/FR
3-phenyl propyl isobutyrateFL/FR
green
 picea glauca leaf absoluteFR
 violet leaf absoluteFL/FR
hay
 hay absoluteFR
herbal
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 linalyl acetateFL/FR
melon
 watermelon ketoneFR
mossy
 oakmoss absoluteFL/FR
 veramoss (IFF)FR
naphthyl
beta-naphthyl ethyl etherFL/FR
powdery
para-anisyl alcoholFL/FR
spicy
 allspice oilFL/FR
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
black currant bud absoluteFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl isoeugenolFL/FR
 nutmeg oilFL/FR
terpenic
 cypress leaf oilFR
alpha-terpineolFL/FR
tobacco
 honey absoluteFL/FR
tonka
 tonka bean absoluteFR
vanilla
 ethyl vanillinFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
waxy
 decyl acetateFL/FR
 phytyl acetateFL/FR
woody
 amber carbinolFR
 cistus twig/leaf oilFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 santallFR
 santalyl butyrateFL/FR
 tobacarol (IFF)FR
 vetiver oil haitiFL/FR
 woody acetateFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
 allyl (E)-cinnamateFL/FR
 allyl cinnamateFL/FR
(E)-cinnamyl butyrateFL/FR
(E)-cinnamyl propionateFL/FR
 cistus twig/leaf oilFL/FR
 methyl (E)-cinnamateFL/FR
 phytyl acetateFL/FR
 pine needle absoluteFL/FR
 prenyl benzoateFL/FR
 santalyl butyrateFL/FR
 terpinyl butyrateFL/FR
animal
 indoleFL/FR
balsamic
siam benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
 ethyl cinnamateFL/FR
 peru balsam oilFL/FR
isopropyl cinnamateFL/FR
berry
 heliotropyl acetoneFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
burnt
 ethyl 2-furoateFL
caramellic
 ethyl maltolFL/FR
 maltolFL/FR
 strawberry furanoneFL/FR
chemical
 methyl ethyl ketoneFL/FR
cherry
 heliotropinFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 nerolFL/FR
alpha-terpineolFL/FR
coconut
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
cooling
isobutyl salicylateFL/FR
creamy
 acetoinFL/FR
para-anisaldehydeFL/FR
para-methyl acetophenoneFL/FR
earthy
alpha-amyl cinnamyl acetateFL/FR
fatty
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
isoamyl phenyl acetateFL/FR
 bois de rose oil brazilFL/FR
 citronellolFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geraniolFL/FR
 geranyl phenyl acetateFL/FR
 linalyl acetateFL/FR
 methyl dihydrojasmonateFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 rhodinolFL/FR
 tetrahydrolinaloolFL/FR
 ylang ylang flower oilFL/FR
fruity
isoamyl benzoateFL/FR
para-anisyl alcoholFL/FR
 artemisia pallens herb oilFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl benzoateFL/FR
 dimethyl anthranilateFL/FR
3-phenyl propyl isobutyrateFL/FR
 rose butanoateFL/FR
green
isoamyl salicylateFL/FR
 cinnamyl alcoholFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 linalool oxideFL/FR
 nerolidolFL/FR
 oakmoss absoluteFL/FR
 violet leaf absoluteFL/FR
herbal
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
honey
 ethyl phenyl acetateFL/FR
 honey absoluteFL/FR
 phenethyl isobutyrateFL/FR
medicinal,
 phenethyl salicylateFL/FR
nutty
2-acetyl furanFL/FR
powdery
 acetophenoneFL/FR
beta-naphthyl ethyl etherFL/FR
spicy
 allspice oilFL/FR
 benzyl cinnamateFL/FR
 cassia bark oil chinaFL/FR
 cinnamyl formateFL/FR
 clove bud oilFL/FR
black currant bud absoluteFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl isoeugenolFL/FR
 nutmeg oilFL/FR
3-phenyl propyl alcoholFL/FR
vanilla
 ethyl vanillinFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
waxy
 decyl acetateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 amyris wood oilFL/FR
 guaiacwood oilFL/FR
 patchouli oilFL/FR
 vetiver oil haitiFL/FR
 
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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
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Occurrence (nature, food, other): note
 kumquat peel oil
Search Trop  Picture
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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
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