methyl 3-acetoxyoctanoate
methyl 3-acetyloxyoctanoate
 
Notes:
None found
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methyl 3-acetyloxyoctanoate (Click)
CAS Number: 35234-21-0Picture of molecule
ECHA EINECS - REACH Pre-Reg: 252-452-5
FDA UNII: 16KH805BNJ
Nikkaji Web: J289.943D
XlogP3-AA: 2.30 (est)
Molecular Weight: 216.27720000
Formula: C11 H20 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: 1956  methyl 3-acetoxyoctanoate
FEMA Number: 4454  methyl 3-acetoxyoctanoate
FDA Mainterm: METHYL 3-ACETOXYOCTANOATE
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Physical Properties:
Appearance: colorless to yellow clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.93400 to 0.99400 @  20.00 °C.
Pounds per Gallon - (est).: 7.781 to  8.281
Refractive Index: 1.41300 to 1.43300 @  20.00 °C.
Boiling Point: 217.00 to  219.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.111000 mm/Hg @ 25.00 °C. (est)
Flash Point: 198.00 °F. TCC ( 92.22 °C. )
logP (o/w): 2.585 (est)
Soluble in:
 alcohol
 water
 water, 150.2 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Type: winey
Odor Strength: medium
 winey  fruity  green  
Odor Description:
at 100.00 %. 
winey fruity green
  
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Methyl 3-(acetoxy)octanoate
Parchem
methyl 3-acetoxyoctanoate
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 methyl 3-acetoxyoctanoate 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: --
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): 0.500002.50000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 1.000005.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 5.0000025.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 2.0000010.00000
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: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 529300
National Institute of Allergy and Infectious Diseases: Data
 methyl 3-acetyloxyoctanoate
Chemidplus: 0035234210
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References:
 methyl 3-acetyloxyoctanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 529300
Pubchem (sid): 135211978
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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): Search
VCF-Online: VCF Volatile Compounds in Food
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: Methyl 3-acetoxyoctanoate
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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
 pineapple fruit
Search Trop  Picture
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Synonyms:
3-(acetyl oxy) octanoic acid methyl ester
3-(acetyloxy)octanoic acid methyl ester
 methyl 3-(acetoxy) octanoate
 methyl 3-(acetoxy)octanoate
 methyl 3-acetyloxyoctanoate
 octanoic acid, 3-(acetyloxy)-, methyl ester
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Articles:
 None found yet.
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