1-methyl thio-2-propanone
1-methylthio-2-propanone
 
Notes:
Present in roasted sesame seed oil, cooked beef liver and acid hydrolysed soy protein. Flavouring agent
  • BOC Sciences
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      Product(s):
      14109-72-9 1-Methylthio-2-propanone
       
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      AT0080 1-Methylthio-2-propanone
       
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    • R C Treatt and Co Ltd
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      1-Methylthio-2-propanone Halal, Kosher
       
Synonyms   Articles   Notes   Search
CAS Number: 14109-72-9Picture of molecule3D/inchi
FDA UNII: S6V0DW7BQA
Nikkaji Web: J325.159D
MDL: MFCD00015325
XlogP3-AA: 0.60 (est)
Molecular Weight: 104.17196000
Formula: C4 H8 O S
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: 495  1-methylthio-2-propanone
DG SANTE Food Flavourings: 12.244  1-methylthio-2-propanone
FEMA Number: 3882 1-methylthio-2-propanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):14109-72-9 ; 1-METHYLTHIO-2-PROPANONE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.96700 to 0.97300 @  25.00 °C.
Pounds per Gallon - (est).: 8.046 to  8.096
Refractive Index: 1.39500 to 1.40500 @  20.00 °C.
Boiling Point: 35.00 to  40.00 °C. @ 15.00 mm Hg
Boiling Point: 144.00 to  145.00 °C. @ 760.00 mm Hg
Vapor Pressure: 5.193000 mmHg @ 25.00 °C. (est)
Flash Point: 109.00 °F. TCC ( 42.78 °C. )
logP (o/w): 0.449 (est)
Soluble in:
 alcohol
 oils
 water, very slightly
 water, 1.521e+005 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: melon
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 melon  
Odor Description:
at 0.10 % in dipropylene glycol. 
melon
 
 
Flavor Type: sulfurous
 
 cabbage  garlic  
Taste Description:
cabbage garlic
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
1-Methylthio-2-propanone
Endeavour Specialty Chemicals
1-Methylthio-2-propanone
Speciality Chemical Product Groups
Parchem
1-methyl thio-2-propanone
Penta International
1-METHYLTHIO-2-PROPANONE
R C Treatt & Co Ltd
1-Methylthio-2-propanone
Halal, Kosher
Robinson Brothers
1-Methylthio-2-propanone F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
1-Methylthio-2-propanone 98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Methylthio-2-propanone
Tengzhou Jitian Aroma Chemiclal
1-Methylthio propanone
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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
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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: --
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Safety References:
EPI System: View
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
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References:
 1-methylsulfanylpropan-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6430713
Pubchem (sid): 135274070
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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
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
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Potential Blenders and core components note
 
For Odor
citrus
citrus
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
earthy
3-octanolFL/FR
fatty
2,4-decadien-1-olFL/FR
(E,Z)-2,6-dodecadienalFL/FR
(Z)-3-octen-1-olFL/FR
fermented
 propyl nonanoateFL/FR
floral
 methoxycitronellalFR
 methoxymelonalFL/FR
 muguet carbaldehydeFR
fruity
 butyl isobutyrateFL/FR
 diethyl sebacateFL/FR
 methyl 3-nonenoateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 propyl 2,4-decadienoateFL/FR
 propyl isobutyrateFL/FR
 tropical indeneFR
green
 green heptenalFR
(Z)-3-hepten-1-olFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
3-hexenalFL/FR
 manzanate (Givaudan)FL/FR
 melon acetalFL/FR
 melon nonenoateFL/FR
 methyl octine carbonateFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
(Z)-2-nonen-1-olFL/FR
(E)-2-nonen-1-olFL/FR
(Z)-5-octen-1-olFL/FR
(Z)-5-octen-1-yl propionateFL/FR
hay
para-methyl phenoxyacetaldehydeFR
melon
 melon carboxaldehydeFR
 melon heptenalFL/FR
(Z)-6-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(Z)-6-nonenalFL/FR
 watermelon ketoneFR
mushroom
3-octen-2-olFL/FR
phenolic
2'-hydroxyacetophenoneFL/FR
spicy
 cinnamyl isovalerateFL/FR
tropical
 hexyl 2-methyl-3-pentenoateFL/FR
waxy
2,4-nonadien-1-olFL/FR
(Z)-3-nonen-1-olFL/FR
 
For Flavor
 
No flavor group found for these
 costus root absoluteFL
 costus root resinoidFL
(Z)-3-hepten-1-olFL/FR
 propyl nonanoateFL/FR
cooling
 manzanate (Givaudan)FL/FR
fatty
2,4-decadien-1-olFL/FR
(E,E)-2,4-decadienalFL
2,4-nonadien-1-olFL/FR
(Z)-2-nonen-1-olFL/FR
(Z)-3-octen-1-olFL/FR
fruity
 butyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 diethyl sebacateFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 methoxymelonalFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 propyl isobutyrateFL/FR
green
(E,Z)-2,6-dodecadienalFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
3-hexenalFL/FR
 melon acetalFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl octine carbonateFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E,E)-2,6-nonadienalFL
(E)-2-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(Z)-6-nonenalFL/FR
(E,E)-2,4-octadienalFL
(Z)-5-octen-1-olFL/FR
(Z)-5-octen-1-yl propionateFL/FR
melon
 propyl 2,4-decadienoateFL/FR
mushroom
3-octen-2-olFL/FR
musty
3-octanolFL/FR
naphthyl
2'-hydroxyacetophenoneFL/FR
orris
 costus root oilFL
waxy
(Z,Z)-3,6-nonadien-1-olFL/FR
(Z)-3-nonen-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
 
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Potential Uses:
 melonFR
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Occurrence (nature, food, other): note
 beef liver cooked
Search  PMC Picture
 seseme seed oil roasted
Search Trop  Picture
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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
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