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cinnamyl butyrate

Chemical Structure

General Material Information

Preferred name cinnamyl butyrate
Trivial Name Cinnamyl butyrate
Short Description 3-phenyl-2-propenyl butyrate
Formula C13 H16 O2
CAS Number 103-61-7
FEMA Number 2296
Flavis Number 9.053
ECHA Number 203-128-7
FDA UNII TKZ9V37P1G
MDL MFCD00027135
COE Number 279
xLogP3-AA 3.10 (est)
NMR Predictor External link
JECFA Food Flavoring 652 cinnamyl butyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 103-61-7 ; CINNAMYL BUTYRATE
Synonyms
  • butanoic acid 3-phenyl-2-propenyl ester
  • butanoic acid, 3-phenyl-2-propen-1-yl ester
  • butynoic acid 3-phenyl-2-propenyl ester
  • butyric acid 3-phenyl-2-propen-1-yl ester
  • butyric acid cinnamyl ester
  • cinnamyl butanoate
  • nat. cinnamyl butyrate
  • cinnamyl butyrate FCC
  • cinnamyl butyrate natural
  • cinnamyl N-butyrate
  • cinnamyl-butyrate FCC
  • 3-phenyl allyl butyrate
  • phenyl propenyl N-butyrate
  • 3-phenyl-2-propen-1-yl butanoate
  • 3-phenyl-2-propen-1-yl butyrate
  • 3-phenyl-2-propenyl butanoate
  • 3-phenyl-2-propenyl butyrate
  • 3-phenylallyl butyrate
  • 3-phenylprop-2-en-1-yl butyrate
  • 3-phenylprop-2-enyl butanoate
  • 3-phenylprop-2-enyl butanoate
  • Butyric acid, cinnamyl ester
  • Butanoic acid, 3-phenyl-2-propenyl ester
  • Cinnamyl alcohol, butyrate
  • 3-Phenyl-2-propen-1-yl butyrate
  • NSC 30528

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):HMDB41316
FooDB:FDB021235
Export Tariff Code:2916.39.7900
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 204.26892089844
Specific gravity @ 25 °C
Pounds per Gallon 8.404 to 8.462
Specific gravity @ 25 °C
Pounds per Gallon 8.404 to 8.487
Refractive Index 1.525 to 1.528 @ 20 °C
Refractive Index 1.525 to 1.53 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 3.66 est
Solubility
alcohol Yes
water, 22.29 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Balsamic
fruity, winey, cognac, cinnamyl, balsamic
Odor strength medium
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1986) At 100.00 %. soft fruity winey cognac cinnamyl balsamic
Flavor Type: Winey
winey, spicy, cinnamyl, balsamic, cognac
Luebke, William tgsc, (1986) Sweet winey spicy cinnamyl balsamic cognac

Occurrences

Potential Uses

Applications
Odor purposes Apple, Crabapple, Balsam, Banana, Floral, Honey, Lily, Lily of the valley, Peach, Pear, Rose, Sweet pea, Tuberose, Valerian, Wisteria
Flavoring purposes Valerian
Other purposes Fixer, Modifier
Cosmetic purposes Perfuming agents

Safety Information

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 24/25 - Avoid contact with skin and eyes.
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)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
RIFM (1976a)

Dermal Toxicity:
Not determined
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:
0.0200 % 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 butyrate usage levels up to:
8.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
0.1000 %
Dermal Systemic Exposure in Cosmetic Products:
0.0025 mg/kg/day (IFRA, 2001)
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.60 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (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: -11.00000
beverages(nonalcoholic): -1.60000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -8.50000
fruit ices: -8.50000
gelatins / puddings: -1.20000
granulated sugar: --
gravies: --
hard candy: -7.60000
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):103-61-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7664
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-phenylprop-2-enyl butanoate
Chemidplus:0000103617
RTECS:ES8815000 for cas# 103-61-7