dimethyl benzyl carbinyl crotonate
dimethylbenzyl carbinyl crotonate
 
Notes:
Used as a food additive [EAFUS]
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(2-methyl-1-phenylpropan-2-yl) (E)-but-2-enoate (Click)
CAS Number: 93762-34-6Picture of molecule
ECHA EINECS - REACH Pre-Reg: 297-746-4
FDA UNII: HA5X7B2LLJ
Nikkaji Web: J333.426K
XlogP3-AA: 3.50 (est)
Molecular Weight: 218.29586000
Formula: C14 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
JECFA Food Flavoring: 2025  dimethylbenzyl carbinyl crotonate
FEMA Number: 4403  dimethylbenzyl carbinyl crotonate
FDA Mainterm: DIMETHYLBENZYL CARBINYL CROTONATE
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Physical Properties:
Appearance: colorless clear oily liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.99500 to 0.10030 @  20.00 °C.
Pounds per Gallon - (est).: 8.289 to  0.836
Refractive Index: 1.50500 to 1.51100 @  20.00 °C.
Boiling Point: 311.00 to  312.00 °C. @ 760.00 mm Hg
Boiling Point: 80.00 to  82.00 °C. @ 10.00 mm Hg
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 326.00 °F. TCC ( 163.33 °C. )
logP (o/w): 3.886 (est)
Soluble in:
 alcohol
 water, 8.917 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 herbal  fruity  spicy  
Odor Description:
at 10.00 % in dipropylene glycol. 
herbal fruity spicy
  
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Cosmetic Information:
None found
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Suppliers:
Parchem
dimethyl benzyl carbinyl crotonate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for dimethyl benzyl carbinyl crotonate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
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: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 1.000002.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.000003.00000
fruit ices: 2.000003.00000
gelatins / puddings: 2.000003.00000
granulated sugar: --
gravies: --
hard candy: 10.0000020.00000
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: 10.0000020.00000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 16205756
National Institute of Allergy and Infectious Diseases: Data
 (2-methyl-1-phenylpropan-2-yl) (E)-but-2-enoate
Chemidplus: 0093762346
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References:
 (2-methyl-1-phenylpropan-2-yl) (E)-but-2-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 16205756
Pubchem (sid): 135216393
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB32227
FooDB: FDB009306
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
FAO: Dimethylbenzyl carbinyl crotonate
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 benzyl dimethyl carbinol crotonate
 benzyl dimethyl carbinyl crotonate
 benzyl propyl crotonate
 dimethyl benzyl carbinol crotonate
alpha,alpha-dimethyl phenethyl crotonate
alpha,alpha-dimethyl phenyl ethyl crotonate
1,1-dimethyl-2-phenethyl 2-butenoate
1,1-dimethyl-2-phenyl ethyl 2-butenoate
1,1-dimethyl-2-phenylethyl 2-butenoate
 dimethylbenzyl carbinyl crotonate
1,1-dimethylphenetyl crotonate
(2-methyl-1-phenylpropan-2-yl) (E)-but-2-enoate
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