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benzyl methyl tiglate

Chemical Structure

General Material Information

Preferred name benzyl methyl tiglate
Trivial Name Phenylmethyl 2,3-dimethyl-2-butenoate
Short Description benzyl 2,3-dimethylcrotonate
Formula C13 H16 O2
CAS Number 7492-69-5
FEMA Number 2143
Flavis Number 9.508
FDA UNII Q2Z1O33EAA
Nikkaji Number J1.536.419J
COE Number 11868
xLogP3-AA 3.40 (est)
NMR Predictor External link
JECFA Food Flavoring 847 benzyl 2,3-dimethylcrotonate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7492-69-5 ; BENZYL 2,3-DIMETHYLCROTONATE
Synonyms
  • benzyl 2,3-dimethyl crotonate
  • benzyl 2,3-dimethyl-2-butenoate
  • benzyl 2,3-dimethylbut-2-enoate
  • benzyl 2,3-dimethylcrotonate
  • benzyl methyltiglate
  • 2-butenoic acid, 2,3-dimethyl-, phenylmethyl ester
  • crotonic acid, 2,3-dimethyl-, benzyl ester
  • 2,3-dimethyl crotonic acid benzyl ester
  • 2,3-dimethyl-2-butenoic acid benzyl ester
  • 2,3-dimethyl-2-butenoic acid phenyl methyl ester
  • phenyl methyl 2,3-dimethyl-2-butenoate
  • phenylmethyl 2,3-dimethyl-2-butenoate
  • phenylmethyl 2,3-dimethylbut-2-enoate
  • 2-Butenoic acid, 2,3-dimethyl-, phenylmethyl 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
HMDB (The Human Metabolome Database):HMDB36224
FooDB:FDB015082
ChemSpider:View

Suppliers

Parchem

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 204.26892089844
Specific gravity @ 25 °C
Pounds per Gallon 8.462 to 8.512
Refractive Index 1.51 to 1.517 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 146.67 °C TCC
logP (o/w) 3.454 est
Solubility
alcohol Yes
water, 17.87 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
warm, herbal, fruity, spicy
General comment At 10.00 % in dipropylene glycol. warm herbal fruity spicy

Potential Uses

Applications
Odor purposes Fruit
Flavoring purposes Green, Herbal, Spice

Safety Information

Safety information

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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for benzyl methyl tiglate usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (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: -1.50000
beverages(nonalcoholic): -0.75000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.80000
fruit ices: -2.80000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.80000
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) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
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Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61402
National Institute of Allergy and Infectious Diseases:Data
benzyl 2,3-dimethylbut-2-enoate
Chemidplus:0007492695