dimethyl benzyl carbinyl hexanoate
dimethylbenzyl carbinyl hexanoate
 
Notes:
Used as a food additive [EAFUS]
Synonyms   Articles   Notes   Search
(2-methyl-1-phenylpropan-2-yl) hexanoate (Click)
CAS Number: 891781-90-1Picture of molecule
FDA UNII: DQA6X1461S
XlogP3-AA: 4.60 (est)
Molecular Weight: 248.36568000
Formula: C16 H24 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: 2026  dimethylbenzyl carbinyl hexanoate
FEMA Number: 4404  dimethylbenzyl carbinyl hexanoate
FDA Mainterm: DIMETHYLBENZYL CARBINYL HEXANOATE
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear oily liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.95200 to 0.95900 @  20.00 °C.
Pounds per Gallon - (est).: 7.931 to  7.989
Refractive Index: 1.47900 to 1.48600 @  20.00 °C.
Boiling Point: 79.00 to  81.00 °C. @ 10.00 mm Hg
Soluble in:
 water, 0.5821 mg/L @ 25 °C (est)
Similar Items: note
allyl hexanoate
allyl thiohexanoate
amyl hexanoate
isoamyl hexanoate
para-anisyl hexanoate
benzyl hexanoate
butyl hexanoate
isobutyl hexanoate
sec-butyl hexanoate
cinnamyl hexanoate
citronellyl hexanoate
meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
decyl hexanoate
ethyl 2-acetyl hexanoate
ethyl hexanoate
furfuryl hexanoate
geranyl hexanoate
heptyl hexanoate
sec-heptyl hexanoate
(E)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
linalyl hexanoate
menthyl hexanoate
3-mercaptohexyl hexanoate
2-methyl butyl hexanoate
methyl hexanoate
methyl thiohexanoate
neryl hexanoate
octyl hexanoate
(Z)-2-penten-1-yl hexanoate
phenethyl hexanoate
3-phenyl propyl hexanoate
prenyl hexanoate
propyl hexanoate
isopropyl hexanoate
sulfuryl hexanoate
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Strength: medium
Odor Description:
at 100.00 %. 
herbal
  
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
Parchem
dimethyl benzyl carbinyl hexanoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for dimethyl benzyl carbinyl hexanoate usage levels up to:
  8.0000 % 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: 1.0000010.00000
beverages(nonalcoholic): 0.500001.00000
beverages(alcoholic): 0.500001.00000
breakfast cereal: --
cheese: --
chewing gum: 30.00000100.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.0000010.00000
fruit ices: 1.0000010.00000
gelatins / puddings: 1.0000010.00000
granulated sugar: --
gravies: --
hard candy: 30.00000100.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 1.0000010.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 30.00000100.00000
soups: --
sugar substitutes: --
sweet sauces: --
Synonyms   Articles   Notes   Search   Top
Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 71587848
National Institute of Allergy and Infectious Diseases: Data
 (2-methyl-1-phenylpropan-2-yl) hexanoate
Chemidplus: 0891781901
Synonyms   Articles   Notes   Search   Top
References:
 (2-methyl-1-phenylpropan-2-yl) hexanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 71587848
Pubchem (sid): 163642839
Synonyms   Articles   Notes   Search   Top
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): HMDB32228
FooDB: FDB009307
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 hexanoate
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
None Found
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
None Found
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
 benzyl dimethyl carbinol hexanoate
 benzyl dimethyl carbinyl hexanoate
 benzyl propyl hexanoate
 dimethyl benzyl carbinol hexanoate
alpha,alpha-dimethyl phenethyl hexanoate
alpha,alpha-dimethyl phenethyl hexanoate
alpha,alpha-dimethyl phenyl ethyl hexanoate
 dimethylbenzyl carbinyl hexanoate
 dimethylbenzyl carbinyl hexanoate [FIFH]
 hexanoic acid 1,1-dimethyl-2-phenylethyl ester
 hexanoic acid, 1,1-dimethyl-2-phenylethyl ester
2-methyl-1-phenylpropan-2-yl hexanoate
(2-methyl-1-phenylpropan-2-yl) hexanoate
Synonyms   Articles   Notes   Search   Top
Articles:
 None found yet.
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2017 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy