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methyl hydrocinnamate

Chemical Structure

General Material Information

Preferred name methyl hydrocinnamate
Trivial Name Methyl 3-phenylpropionate
Short Description methyl 3-phenylpropionate
Formula C10 H12 O2
CAS Number 103-25-3
FEMA Number 2741
Flavis Number 9.746
ECHA Number 203-092-2
FDA UNII 111LC1GI10
Nikkaji Number J45.126F
MDL MFCD00017209
COE Number 427
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 643 methyl 3-phenylpropionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 103-25-3 ; METHYL 3-PHENYLPROPIONATE
Synonyms
  • benzene propanoic acid methyl ester
  • benzenepropanoic acid methyl ester
  • benzenepropanoic acid, methyl ester
  • hydrocinnamic acid methyl ester
  • hydrocinnamic acid, methyl ester
  • methyl 3-phenyl propionate
  • methyl 3-phenylpropanoate
  • methyl 3-phenylpropionate
  • methyl beta-phenyl propionate
  • methyl dihydrocinnamate
  • methyl phenyl propionate
  • methyl-3-phenyl propionate
  • methyl-3-phenyl propionate natural
  • methyl-3-phenylpropionate
  • beta- phenyl propionic acid methyl ester
  • 3-phenylpropanoic acid methyl ester
  • 3-phenylpropionic acid methyl ester
  • beta- phenylpropionic acid methyl ester
  • propionic acid, 3-phenyl-, methyl ester
  • Methyl β-phenylpropionate
  • β-Phenylpropionic acid methyl ester
  • Dihydrocinnamic acid methyl ester
  • Methyl benzenepropanoate
  • 3-Phenylpropionic acid methyl ester
  • NSC 10128
  • NSC 404188
  • 3-Phenylpropanoic acid methyl ester

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):HMDB30060
FooDB:FDB001368
Export Tariff Code:2916.39.7900
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 164.20404052734
Specific gravity @ 20 °C
Pounds per Gallon 8.681 to 8.714
Refractive Index 1.501 to 1.505 @ 20 °C
Boiling Point 91 to 92°C @ 4 mm Hg
Boiling Point 238 to 239°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.042 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 2.32
Solubility
alcohol Yes
dipropylene glycol Yes
water, 683.4 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Honey
honey, fruity, winey, balsamic, floral
General comment At 100.00 %. honey fruity wine balsam floral

Occurrences

Safety Information

Safety information

Preferred SDS: View
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.
Oral/Parenteral Toxicity:
oral-rat LD50 4200 mg/kg
Confidence limits of 3100-5700 mg/kg bw, 4 dose groups (1200-5000 mg/kg bw) of 10 animals, only summary available.
(Moreno, 1981b)

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
Recommendation for methyl hydrocinnamate usage levels up to:
1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (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: 0.700004.00000
beverages(nonalcoholic): -0.46000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.56000
fruit ices: -0.56000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.70000
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

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):103-25-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7643
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
methyl 3-phenylpropanoate
Chemidplus:0000103253