EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

1-methyl thio-2-propanone
1-methylthio-2-propanone

Supplier Sponsors

Name:1-methylsulfanylpropan-2-one
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
FLAVIS Number:12.244 (Old)
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
 
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
 
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).
 
Cosmetic Information:
None found
 
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
 
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
 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
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
 
References:
 1-methylsulfanylpropan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6430713
Pubchem (sid):135274070
 
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 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
 
Potential Blenders and core components note
For Odor
citrus
2,4-
dimethyl-3-cyclohexene-1-methanyl acetate
FR
earthy
3-
octanol
FL/FR
fatty
2,4-
decadien-1-ol
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
(Z)-3-
octen-1-ol
FL/FR
fermented
propyl nonanoate
FL/FR
floral
methoxycitronellal
FR
methoxymelonal
FL/FR
muguet carbaldehyde
FR
fruity
butyl isobutyrate
FL/FR
diethyl sebacate
FL/FR
methyl 3-nonenoate
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
propyl 2,4-decadienoate
FL/FR
propyl isobutyrate
FL/FR
tropical indene
FR
green
green heptenal
FR
(Z)-3-
hepten-1-ol
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
3-
hexenal
FL/FR
manzanate (Givaudan)
FL/FR
melon acetal
FL/FR
melon nonenoate
FL/FR
methyl octine carbonate
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(Z)-5-
octen-1-ol
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
hay
para-
methyl phenoxyacetaldehyde
FR
melon
melon carboxaldehyde
FR
melon heptenal
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
(Z)-6-
nonenal
FL/FR
watermelon ketone
FR
mushroom
3-
octen-2-ol
FL/FR
phenolic
2'-
hydroxyacetophenone
FL/FR
spicy
cinnamyl isovalerate
FL/FR
tropical
hexyl 2-methyl-3-pentenoate
FL/FR
waxy
2,4-
nonadien-1-ol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
For Flavor
No flavor group found for these
costus root absolute
FL
costus root resinoid
FL
(Z)-3-
hepten-1-ol
FL/FR
propyl nonanoate
FL/FR
cooling
cooling
manzanate (Givaudan)
FL/FR
fatty
2,4-
decadien-1-ol
FL/FR
(E,E)-2,4-
decadienal
FL
2,4-
nonadien-1-ol
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(Z)-3-
octen-1-ol
FL/FR
fruity
butyl isobutyrate
FL/FR
cinnamyl isovalerate
FL/FR
diethyl sebacate
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
methoxymelonal
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
propyl isobutyrate
FL/FR
green
(E,Z)-2,6-
dodecadienal
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
3-
hexenal
FL/FR
melon acetal
FL/FR
melon heptenal
FL/FR
melon nonenoate
FL/FR
methyl octine carbonate
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
(E,E)-2,6-
nonadienal
FL
(E)-2-
nonen-1-ol
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
(Z)-6-
nonenal
FL/FR
(E,E)-2,4-
octadienal
FL
(Z)-5-
octen-1-ol
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
melon
propyl 2,4-decadienoate
FL/FR
mushroom
3-
octen-2-ol
FL/FR
musty
3-
octanol
FL/FR
naphthyl
2'-
hydroxyacetophenone
FL/FR
orris
costus root oil
FL
waxy
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
 
Potential Uses:
FRmelon
 
Occurrence (nature, food, other):note
 beef liver cooked
Search PMC Picture
 seseme seed oil roasted
Search Trop Picture
 
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
 
 
Notes:
Present in roasted sesame seed oil, cooked beef liver and acid hydrolysed soy protein. Flavouring agent
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