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1-methyl thiomethyl ethyl acetate
methylthio 2-(acetyloxy)propionate

Supplier Sponsors

Name:1-(methylsulfanyl)-1-oxopropan-2-yl acetate
CAS Number: 74586-09-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:277-931-6
FDA UNII: QA4P09EMIK
XlogP:1.17 (est)
Molecular Weight:162.20830000
Formula:C6 H10 O3 S
NMR Predictor:Predict (works with chrome, Edge 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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:492 methylthio 2-(acetyloxy)propionate
DG SANTE Food Flavourings:12.203 methylthio 2-(acetyloxy)propionate
FEMA Number:3788 methylthio 2-(acetyloxy)propionate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):74586-09-7 ; METHYLTHIO 2-(ACETYLOXY)PROPIONATE
 
Physical Properties:
Appearance:colorless to pale pink clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.12700 to 1.13100 @ 20.00 °C.
Pounds per Gallon - (est).: 9.389 to 9.422
Refractive Index:1.46500 to 1.47500 @ 20.00 °C.
Boiling Point: 73.00 °C. @ 8.50 mm Hg
Boiling Point: 203.00 to 204.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.229000 mmHg @ 25.00 °C. (est)
Flash Point: 185.00 °F. TCC ( 85.00 °C. )
logP (o/w): 0.939 (est)
Soluble in:
 fats
 water, slightly
 water, 4.677e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
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1-Ethoxyethyl Acetate
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2-Hexyl-2-methyl-1,3-dioxolane
BOC Sciences
For experimental / research use only.
2,5-Furandione,dihydro-, mono-C30-53-2-alkenyl derivs.
BOC Sciences
For experimental / research use only.
Hydrojasmal
BOC Sciences
For experimental / research use only.
Methyl 7-oxoheptanoate
Parchem
1-methyl thiomethyl ethyl acetate
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:
gavage-rat LD50 [sex: M,F] 1050 mg/kg
(Watanabe & Kinosaki, 1989a)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for 1-methyl thiomethyl ethyl acetate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/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: 16
Click here to view publication 16
 average usual ppmaverage maximum ppm
baked goods: 0.500002.30000
beverages(nonalcoholic): 0.020000.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: 0.200000.60000
chewing gum: --
condiments / relishes: 10.0000023.00000
confectionery froastings: --
egg products: --
fats / oils: 0.200000.60000
fish products: --
frozen dairy: 0.200000.60000
fruit ices: --
gelatins / puddings: 0.020000.20000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: 0.200001.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 0.200000.60000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 10.0000023.00000
snack foods: 0.500001.20000
soft candy: 0.200000.60000
soups: --
sugar substitutes: --
sweet sauces: --
 
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):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

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 :12355469
National Institute of Allergy and Infectious Diseases:Data
1-(methylsulfanyl)-1-oxopropan-2-yl acetate
Chemidplus:0074586097
 
References:
 1-(methylsulfanyl)-1-oxopropan-2-yl acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12355469
Pubchem (sid):135314453
 
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):HMDB36204
FooDB:FDB015062
ChemSpider:View
FAO:Methylthio 2-(acetyloxy)propionate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FLstrawberry
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetyl lactic acid thiomethyl ester
2-(acetyl oxy)propane thioic acid S-methyl ester
 acetyllactic acid thiomethyl ester
S-methyl 2-(acetyl oxy) propane thioate
S-methyl 2-(acetyloxy)propanethioate
 methyl thio 2-(acetyl oxy) proprionate
(methyl thio) 2-(acetyl oxy) proprionate
1-((methyl thio)methyl) ethyl acetate
1-(methyl thiomethyl) ethyl acetate
1-(methylsulfanyl)-1-oxopropan-2-yl acetate
 methylthio 2-(acetyloxy)propionate
 methylthio acetyloxypropionate
1-((methylthio)methyl)ethyl acetate
 
 
Notes:
Flavour enhancer, e.g. for strawberry flavour
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