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ethyl 5-acetoxyoctanoate
ethyl 5-acetyloxyoctanoate

Supplier Sponsors

Name:ethyl 5-acetyloxyoctanoate
CAS Number: 35234-25-4Picture of molecule3D/inchi
FDA UNII:GDC3XJ7Z3X
Nikkaji Web:J146.073K
XlogP3-AA:2.30 (est)
Molecular Weight:230.30414000
Formula:C12 H22 O4
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:1959 ethyl 5-acetoxyoctanoate
FEMA Number:4443 ethyl 5-acetoxyoctanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):35234-25-4 ; ETHYL 5-ACETOXYOCTANOATE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97600 to 0.98200 @ 20.00 °C.
Pounds per Gallon - (est).: 8.131 to 8.181
Refractive Index:1.42700 to 1.43300 @ 20.00 °C.
Boiling Point: 279.00 to 282.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.003000 mmHg @ 25.00 °C. (est)
Flash Point: 264.00 °F. TCC ( 128.89 °C. )
logP (o/w): 2.860 (est)
Soluble in:
 alcohol
 water, 48.12 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:musky fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Ethyl 5-acetoxyoctanoate
Inoue Perfumery
ETHYL 5-ACETOXYOCTANOATE
Parchem
ethyl 5-acetoxyoctanoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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: flavor and fragrance agents
Recommendation for ethyl 5-acetoxyoctanoate usage levels up to:
  0.3000 % 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
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 8.0000075.00000
beverages(alcoholic): 8.0000075.00000
breakfast cereal: --
cheese: --
chewing gum: 10.0000050.00000
condiments / relishes: --
confectionery froastings: 8.0000050.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 8.0000050.00000
gelatins / puddings: 8.0000050.00000
granulated sugar: --
gravies: --
hard candy: 8.0000070.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 8.0000070.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 8.00000100.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :118225
National Institute of Allergy and Infectious Diseases:Data
ethyl 5-acetyloxyoctanoate
Chemidplus:0035234254
 
References:
 ethyl 5-acetyloxyoctanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:35234-25-4
Pubchem (cid):118225
Pubchem (sid):135073511
Pherobase:View
 
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):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Ethyl 5-acetoxyoctanoate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 pineapple fruit
Search Trop Picture
 
Synonyms:
delta-acetoxyoctanoic acid ethyl ester
d-acetoxyoctanoic acid, methyl ester
 ethyl 5-(acetyl oxy) octanoate
 ethyl 5-(acetyloxy)octanoate
 ethyl 5-acetyloxyoctanoate
 octanoic acid, 5-(acetyloxy)-, ethyl ester
 

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Notes:
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