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cinnamyl isovalerate

Chemical Structure

General Material Information

Preferred name cinnamyl isovalerate
Trivial Name Cinnamyl isovalerate
Short Description 3-phenyl-2-propenyl 3-methyl butanoate
Formula C14 H18 O2
CAS Number 140-27-2
FEMA Number 2302
Flavis Number 9.459
ECHA Number 205-407-9
FDA UNII 5JHK9Y2XRM
MDL MFCD00048351
COE Number 454
NMR Predictor External link
JECFA Food Flavoring 654 cinnamyl isovalerate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 140-27-2 ; CINNAMYL ISOVALERATE
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
  • iso valeric acid cinnamyl ester
  • 3-phenylprop-2-enyl 3-methylbutanoate
  • Butanoic acid, 3-methyl-, 3-phenyl-2-propen-1-yl ester
  • Isovaleric acid, cinnamyl ester
  • Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester
  • Cinnamyl alcohol, isovalerate
  • 3-Phenylallyl isovalerate
  • 3-Phenyl-2-propen-1-yl isovalerate
  • 3-Phenyl-2-propen-1-yl 3-methylbutanoate
  • NSC 46141

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly 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

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 218.29585266113
Specific gravity @ 25 °C
Pounds per Gallon 8.254 to 8.288
Refractive Index 1.518 to 1.524 @ 20 °C
Boiling Point 313 to 315°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.00026 mmHg @ 25 °C
Vapor Density 7.5
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.013 est
Solubility
alcohol Yes
fixed oils Yes
water, 8.282 mg/L @ 25 °C (est) Yes
water No
propylene glycol No
glycerin No

Organoleptic Properties

Odor Type: Spicy
sweet, spicy, melon, cherry, apple green apple, sour, fermented, winey, yeasty, woody, fruity
Odor strength medium
Substantivity 100 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 100.00 %. sweet spice melon cherry green apple
Mosciano, Gerard P&F 25, No. 4, 71, (2000) At 1.00 %. Sour, fermented and winey, yeasty with woody and fruity nuances
Flavor Type: Fruity
fruity, winey, fermented, pear, honey, blueberry
Mosciano, Gerard P&F 25, No. 4, 71, (2000) At 1.00 - 10.00 ppm. Fruity, winey, fermented with pear, honey blueberry nuances
General comment APPLE-LIKE

Occurrences

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
Click here to view publication 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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