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(±)-ethyl 3-acetoxy-2-methyl butyrate
(+/-)-ethyl 3-acetoxy-2-methylbutyrate

Supplier Sponsors

Name:ethyl 3-acetyloxy-2-methylbutanoate
CAS Number: 139564-43-5Picture of molecule3D/inchi
FDA UNII:VVW5P5J88K
XlogP3-AA:1.30 (est)
Molecular Weight:188.22332000
Formula:C9 H16 O4
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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:1718 ethyl 3-acetoxy-2-methylbutyrate
FLAVIS Number:09.919 (Old)
DG SANTE Food Flavourings:09.919 ethyl 3-acetoxy-2-methylbutyrate
FEMA Number:4038 (+/-)-ethyl 3-acetoxy-2-methylbutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: (+/-)-ETHYL 3-ACETOXY-2-METHYLBUTYRATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00300 to 1.01300 @ 25.00 °C.
Pounds per Gallon - (est).: 8.346 to 8.429
Refractive Index:1.41700 to 1.42000 @ 20.00 °C.
Boiling Point: 205.00 to 206.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.272000 mm/Hg @ 25.00 °C. (est)
Flash Point: 155.00 °F. TCC ( 68.33 °C. )
logP (o/w): 1.410 (est)
Soluble in:
 alcohol
 water, 1667 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-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
methyl 3-acetoxy-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 Strength:medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:at 10.00 % in propylene glycol. fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
(±)-Ethyl 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: flavoring agents
Recommendation for (±)-ethyl 3-acetoxy-2-methyl butyrate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
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: 21
 average usual ppmaverage maximum ppm
baked goods: 20.0000040.00000
beverages(nonalcoholic): 10.0000020.00000
beverages(alcoholic): 10.0000020.00000
breakfast cereal: --
cheese: --
chewing gum: 40.0000080.00000
condiments / relishes: 10.0000020.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 15.0000030.00000
fruit ices: 10.0000020.00000
gelatins / puddings: 15.0000030.00000
granulated sugar: --
gravies: --
hard candy: 20.0000040.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 10.0000020.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 15.0000030.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :263620
National Institute of Allergy and Infectious Diseases:Data
ethyl 3-acetyloxy-2-methylbutanoate
Chemidplus:0139564435
 
References:
 ethyl 3-acetyloxy-2-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):263620
Pubchem (sid):135337322
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB32258
FooDB:FDB009370
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
methyl (E)-2-octenoate
FL/FR
caramellic
maltyl propionate
FL/FR
chemical
propyl propionate
FL/FR
fatty
allyl octanoate
FL/FR
methyl 2-hexenoate
FL/FR
floral
phenethyl hexanoate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
fruity
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl amyl glycolate
FR
allyl butyrate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
allyl salicylate
FR
allyl sorbate
FL/FR
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
amyl propionate
FL/FR
iso
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
benzyl isovalerate
FL/FR
iso
butyl 2-butenoate
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl furyl propionate
FL/FR
iso
butyl hexanoate
FL/FR
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl levulinate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
geranyl isovalerate
FL/FR
4-
heptanone
FL/FR
linalyl hexanoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 4-methyl valerate
FL/FR
methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isobutyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
propyl hexanoate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical ionone
FL/FR
2-
undecanone
FL/FR
vanilla carboxylate
FL/FR
green
cognac heptanone
FL/FR
ethyl (E)-4-decenoate
FL/FR
galbanum oxyacetate
FR
galbascone (IFF)
FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
manzanate (Givaudan)
FL/FR
pineapple heptadienone 10%
FR
sorbyl isobutyrate
FL/FR
herbal
benzyl octanoate
FL/FR
nutty
2-
methyl-3-ethoxypyrazine
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
allyl nonanoate
FL/FR
For Flavor
No flavor group found for these
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl sorbate
FL/FR
iso
amyl 3-methyl thiopropionate
FL
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
benzyl octanoate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl cyclohexane propionate
FL/FR
linalyl hexanoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-hexenoate
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
sorbyl propionate
FL
2-
tropical oxathiane
FL/FR
iso
butyl furyl propionate
FL/FR
sorbyl isobutyrate
FL/FR
caramellic
caramellic
maltyl propionate
FL/FR
citrus
cognac heptanone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
allyl octanoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
floral
tropical ionone
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
amyl butyrate
FL/FR
iso
amyl hexanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
benzyl isovalerate
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl levulinate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
furfuryl valerate
FL
4-
heptanone
FL/FR
methyl (E)-2-octenoate
FL/FR
methyl 4-methyl valerate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl hexanoate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
vanilla carboxylate
FL/FR
fusel
methyl butyrate
FL/FR
green
allyl butyrate
FL/FR
iso
butyl 2-butenoate
FL/FR
geranyl isovalerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
methyl 4-(methyl thio) butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
propyl propionate
FL/FR
waxy
allyl nonanoate
FL/FR
phenethyl hexanoate
FL/FR
propyl heptanoate
FL/FR
2-
undecanone
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 pineapple fruit
Search Trop Picture
 
Synonyms:
3-acetoxy-2-methyl butyric acid ethyl ester
 butanoic acid, 3-(acetyloxy)-2-methyl-, ethyl ester
 ethyl 3-acetoxy-2-methylbutanoate
 ethyl 3-acetoxy-2-methylbutyrate
(+/-)-ethyl 3-acetoxy-2-methylbutyrate
 ethyl 3-acetyloxy-2-methylbutanoate
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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