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

1-(methyl thio)-2-butanone
1-(methylthio)-2-butanone

Sponsors

Name:1-methylsulfanylbutan-2-one
CAS Number: 13678-58-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:237-169-7
FDA UNII:KPY19W300G
Nikkaji Web:J277.983H
CoE Number:11543
XlogP3-AA:1.10 (est)
Molecular Weight:118.19890000
Formula:C5 H10 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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:496 1-(methylthio)-2-butanone
FLAVIS Number:12.041 (Old)
DG SANTE Food Flavourings:12.041 1-(methylthio)butan-2-one
FEMA Number:3207 1-(methylthio)-2-butanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 1-(METHYLTHIO)-2-BUTANONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 52.00 to 53.00 °C. @ 8.00 mm Hg
Vapor Pressure:2.316000 mm/Hg @ 25.00 °C. (est)
Flash Point: 122.00 °F. TCC ( 50.00 °C. )
logP (o/w): 0.959 (est)
Soluble in:
 alcohol
 water, 5.194e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: mushroom
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
mushroom garlic oily fishy
Odor Description:at 0.10 % in propylene glycol. mushroom garlic oily fishy
fresh radish mustard horseradish wasabi alliaceous onion savory metallic vegetable
Odor Description:at 0.10 %. fresh radish, mustard, horseradish and wasabi like with alliaceous onion and savory metallic and vegetative nuances.
Mosciano, Gerard, (2009)
Flavor Type: sulfurous
green sweet fatty earthy mushroom
Taste Description: green, sweet, fatty, earthy mushroom
sulfurous cabbage radish horseradish toasted onion dairy
Taste Description: at 1.00 ppm. sulfurous, cabbage and radish, horseradish, toasted onion and dairy like nuances
Mosciano, Gerard, (2009)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1-(Methyl Thio)-2-butanone
DeLong Chemicals America
1-(Methylthio)-2-butanone, Kosher
Parchem
1-(methyl thio)-2-butanone
Penta International
1-(METHYLTHIO)-2-BUTANONE, Kosher
Treatt
1-(Methylthio)-2-butanone
Flavor: Oily, fishy at 10ppm.
Used in blue cheese, fish, and tomato flavours.
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 1-(methyl thio)-2-butanone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0037 (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: 4
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -1.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -1.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.00000
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 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
EPA Substance Registry Services (TSCA):13678-58-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61656
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-methylsulfanylbutan-2-one
Chemidplus:0013678585
 
References:
 1-methylsulfanylbutan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13678-58-5
Pubchem (cid):61656
Pubchem (sid):135017468
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB37193
FooDB:FDB016195
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:1-(Methylthio)-2-butanone
 
Potential Blenders and core components note
For Odor
No odor group found for these
dehydrolinalool
FL/FR
alliaceous
alliaceous
methyl furfuryl disulfide
FL/FR
balsamic
(E)-
benzyl tiglate
FL/FR
creamy
butyl lactate
FL/FR
earthy
dibenzyl ether
FL/FR
heptanal cyclic acetal with glycerol
FL/FR
heptanal glyceryl acetal
FL/FR
methyl undecylenate
FL/FR
1-
nonen-3-ol
FL/FR
3-
octanol
FL/FR
1-
octen-3-ol
FL/FR
1-
octen-3-one
FL/FR
fatty
(E)-2-
decenal
FL/FR
methyl 10-undecenoate
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
6,8-
dimethyl-2-nonanol
FR
herbal pyran
FR
nonyl octanoate
FL/FR
octyl acetate
FL/FR
phenethyl butyl ether
FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
fruity
octyl propionate
FL/FR
fungal
1-
decen-3-ol
FL/FR
methyl 2-furoate
FL/FR
green
earthy acetal
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
3-
octanone
FL/FR
honey
phenethyl furoate
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
mushroom
3-
octen-2-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
sulfurous
dimethyl disulfide
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
waxy
methyl laurate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
dehydrolinalool
FL/FR
earthy acetal
FL/FR
heptanal cyclic acetal with glycerol
FL/FR
heptanal glyceryl acetal
FL/FR
tris(
methyl thio) methane
FL
nonyl octanoate
FL/FR
(E)-2-
penten-1-ol
FL
2-
pentyl-1-buten-3-one
FL
phenethyl furoate
FL/FR
balsamic
balsamic
(E)-
benzyl tiglate
FL/FR
buttery
butyl laevo-lactate
FL/FR
caramellic
methyl 2-furoate
FL/FR
coffee
methyl furfuryl disulfide
FL/FR
dairy
butyl lactate
FL/FR
earthy
1-
decen-3-ol
FL/FR
1-
nonen-3-ol
FL/FR
1,8-
octane dithiol
FL
1-
octen-3-one
FL/FR
estery
octyl propionate
FL/FR
fatty
dimethyl sulfoxide
FL
fermented
methyl thio isovalerate
FL
fruity
dibenzyl ether
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
green
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
mushroom
3-
octanone
FL/FR
3-
octen-2-ol
FL/FR
1-
octen-3-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
musty
3-
octanol
FL/FR
onion
methyl propyl disulfide
FL
sulfurous
allyl sulfide
FL
dimethyl disulfide
FL/FR
2-
naphthyl mercaptan
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
2-
octen-4-one
FL/FR
waxy
(E)-2-
decenal
FL/FR
methyl 10-undecenoate
FL/FR
methyl laurate
FL/FR
methyl undecylenate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
octyl 2-furoate
FL
octyl acetate
FL/FR
 
Potential Uses:
FLcheese blue cheese
FLcoffee
FLfish
FLmushroom
FLtomato
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 
Synonyms:
2-butanone, 1-(methylthio)-
1-methyl thio-2-butanone
1-(methyl thio) butan-2-one
1-methyl thiobutan-2-one
1-(methylsulfanyl)butan-2-one
1-methylsulfanylbutan-2-one
1-methylthio-2-butanone
1-(methylthio)-2-butanone
1-(methylthio)butan-2-one
2-thia-4-hexanone
 
 
Notes:
Constit. of coffee concentrate. Flavouring agent
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy