EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl 3-acetoxy-2-methyl butyrate
methyl 3-acetoxy-2-methylbutyrate

Supplier Sponsors

Name:methyl 3-acetyloxy-2-methylbutanoate
CAS Number: 139564-42-4Picture of molecule3D/inchi
FDA UNII:86F92045IV
Nikkaji Web:J2.112.861I
XlogP3-AA:0.90 (est)
Molecular Weight:174.19638000
Formula:C8 H14 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:1951 methyl 3-acetoxy-2-methylbutyrate
FEMA Number:4451 methyl 3-acetoxy-2-methylbutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):139564-42-4 ; METHYL 3-ACETOXY-2-METHYLBUTYRATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.03400 to 1.04400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.614 to 8.697
Refractive Index:1.41300 to 1.42300 @ 20.00 °C.
Boiling Point: 145.00 to 152.00 °C. @ 760.00 mm Hg
Vapor Pressure:3.900000 mmHg @ 25.00 °C. (est)
Flash Point: 135.00 °F. TCC ( 57.00 °C. ) (est)
logP (o/w): 1.140 (est)
Soluble in:
 alcohol
 water, 5128 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
isoamyl 2-methyl butyrate
amyl 2-methyl butyrate
benzyl 2-methyl butyrate
bornyl 2-methyl butyrate
butyl 2-methyl butyrate
isobutyl 2-methyl butyrate
citronellyl 2-methyl butyrate
ethyl 2-hydroxy-2-methyl butyrate
(±)-ethyl 3-acetoxy-2-methyl butyrate
(±)-ethyl 3-hydroxy-2-methyl butyrate
ethyl 2-methyl butyrate
furfuryl 2-methyl butyrate
geranyl 2-methyl butyrate
heptyl 2-methyl butyrate
(E)-2-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
hexyl 2-methyl butyrate
2-methyl butyl 2-methyl butyrate
methyl 2-methyl butyrate
octyl 2-methyl butyrate
propyl 2-methyl butyrate
isopropyl 2-methyl butyrate
propylene glycol di-2-methyl butyrate
propylene glycol mono-2-methyl butyrate
 
Organoleptic Properties:
Odor Description:sweet fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
methyl 3-acetoxy-2-methyl butyrate
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 methyl 3-acetoxy-2-methyl butyrate usage levels up to:
  0.1000 % 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): 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: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :53436911
National Institute of Allergy and Infectious Diseases:Data
methyl 3-acetyloxy-2-methylbutanoate
Chemidplus:0139564424
 
References:
 methyl 3-acetyloxy-2-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):53436911
Pubchem (sid):125742944
 
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:Methyl 3-acetoxy-2-methylbutyrate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 pineapple fruit
Search Trop Picture
 
Synonyms:
3-(acetyl oxy)-2-methyl butanoic acid methyl ester
3-(acetyloxy)-2-methylbutanoic acid methyl ester
 butanoic acid, 3-(acetyloxy)-2-methyl-, methyl ester
 methyl 3-(acetyl oxy)-2-methyl butanoate
 methyl 3-(acetyloxy)-2-methylbutanoate
 methyl 3-acetoxy-2-methylbutanoate
 methyl 3-acetoxy-2-methylbutyrate
 methyl 3-acetyloxy-2-methylbutanoate
 

Articles:

 None found yet.
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy