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isoamyl cinnamate

Chemical Structure

General Material Information

Preferred name isoamyl cinnamate
Trivial Name Isoamyl cinnamate
Short Description isopentyl cinnamate
Formula C14 H18 O2
CAS Number 7779-65-9
FEMA Number 2063
Flavis Number 9.742
ECHA Number 231-931-2
FDA UNII AB60R20S7J
MDL MFCD00026518
COE Number 335
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 665 isoamyl cinnamate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7779-65-9 ; ISOAMYL CINNAMATE
Synonyms
  • amyl (iso amyl) cinnamate
  • iso amyl 3-phenyl propenoate
  • iso amyl beta-phenyl acrylate
  • iso amyl cinnamate FCC
  • iso amyl cinnamate natural
  • iso- amyl-cinnamate FCC
  • cinnamic acid isoamyl ester
  • cinnamic acid isopentyl ester
  • 3-methyl butyl 3-phenyl acrylate
  • 3-methyl butyl 3-phenyl prop-2-enoate
  • 3-methyl butyl 3-phenyl-2-propenoate
  • 3-methyl butyl cinnamate
  • 3-methylbutyl 3-phenylacrylate
  • 3-methylbutyl 3-phenylprop-2-enoate
  • 3-methylbutyl cinnamate
  • iso pentyl 3-phenyl acrylate
  • iso pentyl 3-phenyl propenoate
  • iso pentyl alcohol cinnamate
  • iso pentyl beta-phenyl acrylate
  • iso pentyl cinnamate
  • 3-methylbutyl 3-phenylprop-2-enoate
  • 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester
  • Cinnamic acid, isopentyl ester
  • Isopentyl alcohol, cinnamate

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB37704
FooDB:FDB016832
Export Tariff Code:2916.12.6000
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 0.83
Refractive Index 1.535 to 1.539 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.34 est
Solubility
alcohol Yes
fixed oils Yes
water, 8.282 mg/L @ 25 °C (est) Yes
water No
glycerin No

Organoleptic Properties

Odor Type: Balsamic
floral, amber, cocoa, orchid, musty, sweet, berry, fruity, powdery, carnation
Odor strength medium
Substantivity 17
Luebke, William tgsc, (1986) At 100.00 %. floral amber cocoa orchid musty
Mosciano, Gerard P&F 18, No. 5, 39, (1993) Floral, sweet, berry and fruity, with a powdery carnation-like nuance
Flavor Type: Floral
sweet, floral, powdery, berry, spicy
Mosciano, Gerard P&F 18, No. 5, 39, (1993) At 35.00 ppm. Sweet, floral, powdery, berry and spice nuances

Occurrences

Potential Uses

Applications
Odor purposes Amber, Apricot, Balsam, Berry, Carnation, Floral, Honey, Orchid, Oriental, Peach, Spice
Flavoring purposes Chocolate cocoa
Cosmetic purposes Fragrance

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 709, 1975.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 709, 1975.

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:
0.0500 % 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 isoamyl cinnamate usage levels up to:
4.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
0.1130 %
Dermal Systemic Exposure in Cosmetic Products:
0.0029 mg/kg/day (IFRA, 2001)
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.90 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 6.00 (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: -13.00000
beverages(nonalcoholic): -3.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.20000
fruit ices: -4.20000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -13.00000
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

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):7779-65-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62660
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-methylbutyl 3-phenylprop-2-enoate
Chemidplus:0007779659
EPA/NOAA CAMEO:hazardous materials
RTECS:UD3656100 for cas# 7779-65-9