dimethyl benzyl carbinyl crotonate
dimethylbenzyl carbinyl crotonate
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 93762-34-6Picture of molecule3D/inchi
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:
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JECFA Food Flavoring: 2025  dimethylbenzyl carbinyl crotonate
FEMA Number: 4403  dimethylbenzyl carbinyl crotonate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):93762-34-6 ; 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 mmHg @ 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
Similar Items: note
allyl crotonate
isoamyl crotonate
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benzyl crotonate
butyl (E)-2-crotonate
citronellyl crotonate
cyclohexyl crotonate
ethyl (E)-2-crotonate
ethyl crotonate
fig crotonate
geranyl crotonate
heptyl crotonate
(Z)-3-hexen-1-yl (E)-crotonate
(E)-3-hexen-1-yl crotonate
hexyl (E)-crotonate
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phenethyl crotonate
3-phenyl propyl crotonate
plum crotonate
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propyl crotonate
isopropyl 3-methyl thiocrotonate
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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
 
Odor and/or flavor descriptions from others (if found).
 
 
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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 CSA
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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 Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32227
FooDB: FDB009306
ChemSpider: View
FAO: Dimethylbenzyl carbinyl crotonate
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Potential Blenders and core components note
 
For Odor
anisic
 amyl furoateFL/FR
 ethyl para-anisateFL/FR
3-pentyl bicyclo[3.2.1]-6-octen-2-oneFR
balsamic
 butyl cinnamateFL/FR
 tolu balsam oilFL/FR
 tolu balsam oil replacerFR
caramellic
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
cheesy
2-heptanoneFL/FR
coconut
 tetrahydrojasmoneFR
earthy
 pinus sylvestris leaf absoluteFL/FR
 spathulenol 
ethereal
 ethyl 4-pentenoateFL/FR
floral
 aglaia odorata absoluteFR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 cassis cyclohexeneFR
 cherry blossom fragranceFR
 dimethyl benzyl carbinyl butyrateFL/FR
pink frangipani absoluteFR
2-hexylidene cyclopentanoneFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 magnolia flower oil CO2 extractFL/FR
 menthadienyl formateFR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 muguet specialtyFR
 nonan-3-yl acetateFL/FR
 rhodinyl isobutyrateFL/FR
 rose carboxylateFR
 souroubea specialtyFR
 ylang ylang flower oil IIIFL/FR
fruity
para-anisyl methyl ketoneFL/FR
para-anisyl propionateFL/FR
 apple cider fragranceFR
candy apple fragranceFR
baked apple fragranceFR
 balsam specialtyFR
1,4-diethyl-6,8-dioxabicyclo(3.2.1)octaneFR
2-methyl butyl isovalerateFL/FR
 myrtle oil replacerFR
sesquiphellandrene 
 strawberry furanone butyrateFL/FR
 xanthoxylum fruit oilFR
green
isobutyl heptanoateFL/FR
 butyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
black currant bud absolute replacerFL/FR
 dicyclopentadiene propionateFR
 herbal cyclohexaneFR
 hexyl tiglateFL/FR
 octanal diethyl acetalFL/FR
 thuja occidentalis leaf absoluteFR
herbal
isoamyl heptanoateFL/FR
 artemisia ludoviciana oilFR
 buchu mercaptan acetateFL/FR
 butyl levulinateFL/FR
wild carrot seed oil CO2 extractFL/FR
 chamomile propionateFR
 chamomile valerateFR
 lavender absolute bulgariaFL/FR
 linalyl formateFL/FR
 marigold absolute (tagetes patula)FR
1-para-menthen-9-yl acetateFL/FR
 myrtle oilFL/FR
 myrtle oil moroccoFL/FR
3-octanon-1-olFL/FR
beta-sesquiphellandrene 
 rue flower oil colombia 
 rue oilFL/FR
 rue oil cubaFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil egyptFL/FR
 tagete oil rwandaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
 tricyclodecenyl isobutyrateFR
 tricyclodecenyl propionateFR
honey
 methyl phenyl acetateFL/FR
orris
 orris capronateFL/FR
spicy
alpha-amyl cinnamyl alcoholFL/FR
 apple cinnamon fragranceFR
 bubble gum fragranceFR
 cadinadiene 
2,5-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetateFR
 eugenyl isovalerateFL/FR
(E)-propyl 2-furan acrylateFL/FR
woody
beta-caryophyllene alcohol acetateFL/FR
2-decalinyl acetateFR
 kaempferia galanga rhizome oilFL/FR
 patchouli absoluteFR
 spicy pentanoneFL/FR
 symroxane (Symrise)FR
 vetiver oil fractionsFR
 
For Flavor
 
No flavor group found for these
isoamyl angelateFL/FR
 amyl furoateFL/FR
para-anisyl propionateFL/FR
 benzyl methyl tiglateFL
 butyl cinnamateFL/FR
isobutyl heptanoateFL/FR
 cadinadiene 
beta-caryophyllene alcohol acetateFL/FR
(±)-(cis+trans)-1,2-dihydroperillaldehydeFL
 ethyl 4-pentenoateFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
 eugenyl isovalerateFL/FR
2-hexylidene cyclopentanoneFL/FR
 linalyl formateFL/FR
 magnolia flower oil CO2 extractFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 myrtle oil moroccoFL/FR
 nonan-3-yl acetateFL/FR
3-octanon-1-olFL/FR
sesquiphellandrene 
beta-sesquiphellandrene 
 pinus sylvestris leaf absoluteFL/FR
 rue flower oil colombia 
 spathulenol 
 althaea officinalis root tinctureFL
 hexyl 3-mercaptobutanoateFL
anise
 ethyl para-anisateFL/FR
balsamic
 tolu balsam oilFL/FR
camphoreous
 kaempferia galanga rhizome oilFL/FR
caramellic
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
cheesy
2-heptanoneFL/FR
creamy
 althaea officinalis root extractFL
2,4-heptadienalFL
fatty
2,4-undecadienalFL
floral
 dimethyl benzyl carbinyl butyrateFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 methyl phenyl acetateFL/FR
 rhodinyl isobutyrateFL/FR
 ylang ylang flower oil IIIFL/FR
fruity
 buchu mercaptan acetateFL/FR
 butyl heptanoateFL/FR
black currant bud absolute replacerFL/FR
1-para-menthen-9-yl acetateFL/FR
2-methyl butyl isovalerateFL/FR
(E)-propyl 2-furan acrylateFL/FR
 spicy pentanoneFL/FR
 strawberry furanone butyrateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
green
isobutyl methyl ketoneFL/FR
 hexyl tiglateFL/FR
 octanal diethyl acetalFL/FR
herbal
isoamyl heptanoateFL/FR
 butyl levulinateFL/FR
wild carrot seed oil CO2 extractFL/FR
 lavender absolute bulgariaFL/FR
 rue oilFL/FR
 rue oil cubaFL/FR
 tagete oil egyptFL/FR
orris
 orris capronateFL/FR
spicy
alpha-amyl cinnamyl alcoholFL/FR
para-anisyl methyl ketoneFL/FR
 myrtle oilFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
 
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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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