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    General Material Information
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methyl thioacetate

Chemical Structure

General Material Information

Preferred name methyl thioacetate
Trivial Name S-Methyl thioacetate
Short Description S-methyl acetothioate
Formula C3 H6 O S
CAS Number 1534-08-3
FEMA Number 3876
Flavis Number 12.149
ECHA Number 216-252-1
FDA UNII PF2D4MWX79
Nikkaji Number J125.731E
MDL MFCD00014989
xLogP3-AA 0.70 (est)
NMR Predictor External link
JECFA Food Flavoring 482 S-methyl thioacetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1534-08-3 ; S-METHYL THIOACETATE
Synonyms
  • acetic acid, thio-, methyl ester
  • acetic acid, thio-, S-methyl ester
  • ethane thioic acid S-methyl ester
  • ethanethioic acid S-methyl ester
  • ethanethioic acid, S-methyl ester
  • methane thiol acetate
  • methanethiol acetate
  • S- methyl acetothioate
  • S- methyl ethane thioate
  • methyl ethanethioate
  • S- methyl ethanethioate
  • 1-methyl sulfanyl ethanone
  • ( methyl thio) acetate
  • S- methyl thioacetate
  • methyl thioacetate 1% in triethyl citrate natural
  • S- methyl thioacetate natural
  • methyl thiolacetate
  • ( methylthio)acetate
  • methylthioacetate
  • S- methylthioacetate
  • S- methylthioacetate natural
  • S- methylthioacetate natural 5% in ethyl alcohol
  • thioacetic acid S-methyl ester
  • S-methyl ethanethioate
  • S-Methyl thioacetate
  • S-Methylthioacetic acid
  • 1-(Methylsulfanyl)ethan-1-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB31189
FooDB:FDB003209
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:S-Methyl thioacetate

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 90.14501953125
Specific gravity @ 25 °C
Pounds per Gallon 6.798 to 6.865
Refractive Index 1.46 to 1.468 @ 20 °C
Boiling Point 95 to 96°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 57.889999 mmHg @ 25 °C
Flash Point TCC Value 11.67 °C TCC
logP (o/w) 0.859 est
Solubility
alcohol Yes
oils Yes
water, 8.012e+004 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, eggy, cheesy, dairy, vegetable, cabbage
General comment At 0.10 % in propylene glycol. sulfurous eggy cheese dairy vegetable cabbage
Flavor Type: Sulfurous
sulfurous, fruit overripe fruit, roasted, cheesy, gassy, vegetable
General comment Sulfurous overripe rotten roasted

Occurrences

Potential Uses

Applications
Flavoring purposes Coffee, Meat

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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 methyl thioacetate 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: 18
Click here to view publication 18
average usual ppmaverage maximum ppm
baked goods: 0.100005.00000
beverages(nonalcoholic): 0.100005.00000
beverages(alcoholic): --
breakfast cereal: 0.100005.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100005.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100005.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100005.00000
milk products: 0.100005.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 100.000001000.00000
snack foods: --
soft candy: 0.100005.00000
soups: 0.100005.00000
sugar substitutes: --
sweet sauces: 0.100005.00000

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):

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 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

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 :73750
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
S-methyl ethanethioate
Chemidplus:0001534083