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1-methyl thio-2-propanone

Chemical Structure

General Material Information

Preferred name 1-methyl thio-2-propanone
Trivial Name 1-(Methylthio)-2-propanone
Short Description 1-methylthio-2-propanone
Formula C4 H8 O S
CAS Number 14109-72-9
FEMA Number 3882
Flavis Number 12.244
FDA UNII S6V0DW7BQA
Nikkaji Number J325.159D
MDL MFCD00015325
xLogP3-AA 0.60 (est)
NMR Predictor External link
JECFA Food Flavoring 495 1-methylthio-2-propanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 14109-72-9 ; 1-METHYLTHIO-2-PROPANONE
Synonyms
  • acetonyl methyl sulfide
  • ( methyl thio) acetone
  • alpha-( methyl thio) acetone
  • alpha-( methyl thio) propanone
  • methyl thioacetone
  • 1-( methylsulfanyl)acetone
  • 1-( methylsulfanyl)propan-2-one
  • 1-methylsulfanylpropan-2-one
  • 1-methylthio-2-propanone
  • 1-( methylthio)-2-propanone
  • ( methylthio)acetone
  • 1-( methylthio)acetone
  • alpha-( methylthio)acetone
  • alpha-( methylthio)propanone
  • methylthioacetone
  • propan-2-one, 1-methylthio-
  • 2-propanone, 1-(methylthio)-
  • 2-thia-4-pentanone
  • 2-Propanone, 1-(methylthio)-
  • 2-Propanone, (methylthio)-
  • 1-(Methylthio)-2-propanone
  • (Methylthio)acetone
  • α-(Methylthio)propanone
  • 2-Thia-4-pentanone
  • α-(Methylthio)acetone
  • 1-Methylsulfanylpropan-2-one
  • 1-(Methylsulfanyl)acetone

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

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Literature & References

1-methylsulfanylpropan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6430713
Pubchem (sid):135274070
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

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):HMDB40170
FooDB:FDB019880
Export Tariff Code:2914.70.0090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:1-Methylthio-2-propanone

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 104.17195892334
Specific gravity @ 25 °C
Pounds per Gallon 8.046 to 8.096
Refractive Index 1.395 to 1.405 @ 20 °C
Boiling Point 35 to 40°C @ 15 mm Hg
Boiling Point 144 to 145°C @ 760 mm Hg
Vapor Pressure 5.193 mmHg @ 25 °C
Flash Point TCC Value 42.78 °C TCC
logP (o/w) 0.449 est
Solubility
alcohol Yes
oils Yes
water, very slightly Yes
water, 1.521e+005 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Melon
melon
General comment At 0.10 % in dipropylene glycol. melon
Flavor Type: Sulfurous
cabbage, garlic
General comment Cabbage garlic

Occurrences

Potential Uses

Applications
Odor purposes Melon

Safety Information

Safety information

Preferred SDS: View
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 1-methyl thio-2-propanone usage levels up to:
not for fragrance use.
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: 0.100001.00000
beverages(nonalcoholic): 0.100000.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.100000.20000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100000.50000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100000.20000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100001.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: 0.500005.00000
reconstituted vegetables: --
seasonings / flavors: 500.00000500.00000
snack foods: --
soft candy: 0.100000.50000
soups: 0.500005.00000
sugar substitutes: --
sweet sauces: --

Safety references

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 :6430713
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-methylsulfanylpropan-2-one
Chemidplus:0014109729