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ethyl 2-acetyl hexanoate
ethyl 2-acetylhexanoate

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Name:ethyl 2-acetylhexanoate
CAS Number: 1540-29-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-271-5
FDA UNII: CKN84UW7SK
Nikkaji Web:J99.531B
MDL:MFCD00026888
XlogP3-AA:2.30 (est)
Molecular Weight:186.25106000
Formula:C10 H18 O3
NMR Predictor:Predict (works with chrome, Edge 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
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1953 ethyl 2-acetylhexanoate
FEMA Number:4452 ethyl 2-acetylhexanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1540-29-0 ; ETHYL 2-ACETYLHEXANOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.94900 to 0.95900 @ 20.00 °C.
Pounds per Gallon - (est).: 7.906 to 7.989
Refractive Index:1.42500 to 1.43500 @ 20.00 °C.
Boiling Point: 221.00 to 222.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.107000 mmHg @ 25.00 °C. (est)
Flash Point: 192.00 °F. TCC ( 88.89 °C. )
logP (o/w): 2.250 (est)
Soluble in:
 alcohol
 water, 1858 mg/L @ 25 °C (est)
Insoluble in:
 water
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(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
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menthyl hexanoate
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2-methyl butyl hexanoate
methyl hexanoate
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Organoleptic Properties:
Odor Type: winey
fruity winey
Odor Description:at 100.00 %. fruity winey
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Ethyl2-n-butylacetoacetate
Matrix Scientific
For experimental / research use only.
Ethyl 2-acetylhexanoate
Santa Cruz Biotechnology
For experimental / research use only.
Ethyl 2-butylacetoacetate
TCI AMERICA
For experimental / research use only.
Ethyl 2-Butylacetoacetate >95.0%(GC)
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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:
Not determined
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 ethyl 2-acetyl hexanoate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: 5.0000050.00000
beverages(nonalcoholic): 1.0000010.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 5.0000050.00000
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: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :95466
National Institute of Allergy and Infectious Diseases:Data
ethyl 2-acetylhexanoate
Chemidplus:0001540290
 
References:
 ethyl 2-acetylhexanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):95466
Pubchem (sid):135053811
 
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):Search
Export Tariff Code:2918.30.9000
ChemSpider:View
FAO:Ethyl 2-acetylhexanoate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
alpha-acetyl caproic acid ethyl ester
2-acetyl hexanoic acid ethyl ester
2-acetyl-hexanoic acid ethyl ester
alpha-acetylcaproic acid ethyl ester
2-acetylhexanoic acid ethyl ester
2-butylacetoacetic acid ethyl ester
 ethyl .alpha.-butylacetoacetate
 ethyl 2-acetocaproate
 ethyl 2-acetylhexanoate
 ethyl 2-butylacetoacetate
 hexanoic acid, 2-acetyl-, ethyl ester
 hexanoic acid,2-acetyl-, ethyl ester
 
 
Notes:
None found
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