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

potato butanone
4-(methylthio)-2-butanone

Supplier Sponsors

Name:4-methylsulfanylbutan-2-one
CAS Number: 34047-39-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:251-810-8
FDA UNII:5703W1O1AB
Nikkaji Web:J287.853D
MDL:MFCD00040029
CoE Number:11688
XlogP3-AA:0.50 (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:497 4-(methylthio)-2-butanone
FLAVIS Number:12.057 (Old)
DG SANTE Food Flavourings:12.057 4-(methylthio)butan-2-one
FEMA Number:3375 4-(methylthio)-2-butanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):34047-39-7 ; 4-(METHYLTHIO)-2-BUTANONE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00300 to 1.00700 @ 20.00 °C.
Pounds per Gallon - (est).: 8.356 to 8.389
Refractive Index:1.47300 to 1.47700 @ 20.00 °C.
Boiling Point: 105.00 to 107.00 °C. @ 55.00 mm Hg
Boiling Point: 77.00 to 78.00 °C. @ 20.00 mm Hg
Vapor Pressure:0.683000 mmHg @ 25.00 °C. (est)
Vapor Density:4.0 ( Air = 1 )
Flash Point: 162.00 °F. TCC ( 72.22 °C. )
logP (o/w): 0.646 (est)
Soluble in:
 alcohol
 water, 5.194e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sweet sulfurous vegetable potato earthy tomato
Odor Description:at 0.10 % in dipropylene glycol. sweet sulfurous vegetable potato earthy tomato
sulfurous vegetable potato earthy tomato metallic fatty
Odor Description:Sulfureous, vegetative, potato, earthy, tomato, metallic and fatty
Mosciano, Gerard P&F 20, No. 4, 23, (1995)
Flavor Type: sulfurous
sulfurous potato earthy vegetable fatty fishy metallic mushroom
Taste Description: at 15.00 ppm. Sulfureous, potato, earthy, vegetative, fatty, fishy, metallic and mushroom
Mosciano, Gerard P&F 20, No. 4, 23, (1995)
Odor and/or flavor descriptions from others (if found).
Frutarom
4-(METHYLTHIO)-2-BUTANONE
Odor Description:Earthy, Fruity, Sulphurus, Sweet, Vegetable
Suggested Uses: Bakery, Dairy Products, Fish, Mushroom, Pineapple, Savoury, Tomato, Tropical Fruits
R C Treatt & Co Ltd
4-Methylthiobutan-2-one Halal, Kosher
Odor Description:arrowhead, sweet/sulphurous, fruity/vegetable, potato/tomato
Taste Description:sweet
Used in bakery and soft confection at 2ppm, and in frozen dairy, meat products, desserts and drinks at 1ppm.
 
Cosmetic Information:
None found
 
Suppliers:
Ambles Nature et Chimie
4-METHYL THIO-2-BUTANONE
Augustus Oils
4 (Methylthio) 2 Butanone
Services
BOC Sciences
For experimental / research use only.
4-Methylthio-2-butanone
Charkit Chemical
METHYLTHIO)-2-BUTANONE, 4-( M2800 FEMA 3375
DeLong Chemicals America
4-(Methylthio)-2-butanone, Kosher
Endeavour Specialty Chemicals
4-(Methylthio)butan-2-one 98% F&F
Speciality Chemical Product Groups
Frutarom
4-(METHYLTHIO)-2-BUTANONE
Odor: Earthy, Fruity, Sulphurus, Sweet, Vegetable
Use: Suggested Uses: Bakery, Dairy Products, Fish, Mushroom, Pineapple, Savoury, Tomato, Tropical Fruits
Jinan Enlighten Chemical Technology(Wutong Aroma )
4-Methylthio-2-butanone, Kosherk
M&U International
4-METHYLTHIO-2-BUTANONE, Kosher
Penta International
4-METHYLTHIO-2-BUTANONE
R C Treatt & Co Ltd
4-Methylthiobutan-2-one
Halal, Kosher
Odor: arrowhead, sweet/sulphurous, fruity/vegetable, potato/tomato
Flavor: sweet
Used in bakery and soft confection at 2ppm, and in frozen dairy, meat products, desserts and drinks at 1ppm.
Robinson Brothers
4-(Methylthio)butan-2-one F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich
4-Methylthio-2-butanone, ≥97%, FG
Odor: fruity; sweet
Certified Food Grade Products
Sunaux International
4-Methylthio-2-butanone
Synerzine
4-(Methylthiol-2-butanone
Taytonn
4-(Methylthio)-2-Butanone
Odor: Earthy, Fruity, Sulphurous, Sweet, Vegetable
TCI AMERICA
For experimental / research use only.
4-Methylthio-2-butanone >97.0%(GC)
Tengzhou Jitian Aroma Chemiclal
4-Methylthio-2-butanone
WholeChem
4-Methylthio-2-butanone
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 - Wear suitable protective clothing.
 
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 potato butanone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: 6
 average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: -1.00000
hard candy: -2.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
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):34047-39-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61922
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-methylsulfanylbutan-2-one
Chemidplus:0034047397
 
References:
 4-methylsulfanylbutan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:34047-39-7
Pubchem (cid):61922
Pubchem (sid):135018353
Flavornet:34047-39-7
 
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):HMDB31316
FooDB:FDB004312
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:4-(Methylthio)-2-butanone
 
Potential Blenders and core components note
For Odor
balsamic
bornyl formate
FL/FR
chocolate
cocoa hexenal
FL/FR
coconut
delta-
heptalactone
FL/FR
earthy
2-
ethyl-3-methoxypyrazine
FL/FR
1-
nonen-3-ol
FL/FR
nutty pyrazine
FL/FR
1-
octen-3-ol
FL/FR
ethereal
acetal
FL/FR
floral
linalool oxide
FL/FR
octyl acetate
FL/FR
2-
phenyl propyl acetate
FL/FR
fruity
amyl formate
FL/FR
2-
pentyl furan
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
2-iso
butyl thiazole
FL/FR
geranium absolute
FL/FR
geranium thiazole
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptyl furan
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-
hexenal
FL/FR
4-
hexenol
FL/FR
methyl heptine carbonate
FL/FR
2-
octen-1-ol
FL/FR
1-
penten-3-ol
FL/FR
(E)-2-
pentenal
FL/FR
1-
phenyl-2-pentanol
FL/FR
herbal
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
melon
(Z)-6-
nonen-1-ol
FL/FR
minty
iso
propyl tiglate
FL/FR
nutty
2-
acetyl-3-ethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ethyl methyl mercaptopropionate
FL/FR
grapefruit menthane
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
3-(
methyl thio) hexanol
FL/FR
vegetable
methional
FL/FR
waxy
octyl isobutyrate
FL/FR
For Flavor
No flavor group found for these
benzyl disulfide
FL
bornyl formate
FL/FR
diisopropyl sulfide
FL
3-
ethyl thiopropanol
FL
2-
ethyl-3-methoxypyrazine
FL/FR
2-
ethyl-4,5-dimethyl oxazole
FL
green pea pyrazine
FL
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-4-
hexenal
FL
2-
methoxy-3-propyl pyrazine
FL
methyl 2-(methyl thio) acetate
FL
S-
methyl benzothioate
FL
3-
methyl mercaptopropyl amine
FL
2-
methyl thiazole
FL
4-(
methyl thio) butanol
FL
2-
methyl-5-methoxythiazole
FL
2-
phenyl propyl acetate
FL/FR
2-iso
propyl-3-(methyl thio) pyrazine
FL
alliaceous
alliaceous
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
camphoreous
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
cocoa
cocoa hexenal
FL/FR
creamy
octyl isobutyrate
FL/FR
earthy
1-
nonen-3-ol
FL/FR
panax quinquefolius root extract
FL
fatty
2-
heptyl furan
FL/FR
2-
octen-1-ol
FL/FR
fermented
methyl thio isovalerate
FL
fruity
amyl formate
FL/FR
1-
phenyl-2-pentanol
FL/FR
tropical trithiane
FL/FR
green
2-iso
butyl thiazole
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
geranium absolute
FL/FR
geranium thiazole
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(E)-2-
heptenal
FL
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-
hexenal
FL/FR
horseradish oil
FL
linalool oxide
FL/FR
methyl heptine carbonate
FL/FR
3-(5-
methyl-2-furyl) butanal
FL
2,4-
octadienal
FL
1-
penten-3-ol
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
2-
propyl pyrazine
FL
iso
propyl tiglate
FL/FR
propylene glycol acetone ketal
FL
lactonic
delta-
heptalactone
FL/FR
metallic
2,5-
dihydroxy-1,4-dithiane
FL
4-
hexenol
FL/FR
3-(
methyl thio) hexanol
FL/FR
milky
dextro,laevo-3-(
methyl thio) butanone
FL
mushroom
1-
octen-3-ol
FL/FR
nutty
acetal
FL/FR
2-
acetyl-3-ethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
2-
ethyl-6-methyl pyrazine
FL
nutty pyrazine
FL/FR
onion
methyl propyl disulfide
FL
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ethyl methyl mercaptopropionate
FL/FR
ethyl methyl sulfide
FL
furfuryl methyl sulfide
FL
grapefruit menthane
FL/FR
methyl benzyl disulfide
FL
tomato
methional
FL/FR
vegetable
methyl 3-(methyl thio) propionate
FL/FR
potato butyraldehyde
FL
radish isothiocyanate
FL
waxy
(Z)-6-
nonen-1-ol
FL/FR
octyl acetate
FL/FR
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
FLbakery
FLbeverage
 confection
FLdairy
FLfish
FLfruit tropical fruit
FLmeat
 metallic
FLmushroom
FLpineapple
FLpotato
FLtomato
 
Occurrence (nature, food, other):note
 kohlrabi stem
Search Trop Picture
 sesame seed roasted
Search Trop Picture
 
Synonyms:
2-butanone, 4-(methylthio)-
4-methyl thio-2-butanone
4-(methyl thio) butan-2-one
4-(methyl thio)-2-butanone
4-(methylmercapto)-2-butanone
4-(methylsulfanyl)butan-2-one
4-methylsulfanylbutan-2-one
4-methylthio-2-butanone
4-(methylthio)-2-butanone
4-(methylthio)butan-2-one
4-methylthiobutan-2-one
4-(methylthiol-2-butanone
 
 
Notes:
Flavouring ingredient
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