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    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
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potato butanone

Chemical Structure

General Material Information

Preferred name potato butanone
Trivial Name 4-(Methylthio)-2-butanone
Short Description 4-(methylthio)-2-butanone
Formula C5 H10 O S
CAS Number 34047-39-7
FEMA Number 3375
Flavis Number 12.057
ECHA Number 251-810-8
FDA UNII 5703W1O1AB
Nikkaji Number J287.853D
MDL MFCD00040029
COE Number 11688
xLogP3-AA 0.50 (est)
NMR Predictor External link
JECFA Food Flavoring 497 4-(methylthio)-2-butanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 34047-39-7 ; 4-(METHYLTHIO)-2-BUTANONE
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
  • 4-methylsulfanylbutan-2-one
  • 2-Butanone, 4-(methylthio)-
  • 4-(Methylthio)-2-butanone

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

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Literature & 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
Publications by US Patents
3,937,228 - Aromatic compositions
Flavoring phenol or phenol derivative containing food or feed with cycloaliphatic derivatives

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):HMDB31316
FooDB:FDB004312
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:4-(Methylthio)-2-butanone

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 118.19889831543
Specific gravity @ 20 °C
Pounds per Gallon 8.356 to 8.389
Refractive Index 1.473 to 1.477 @ 20 °C
Boiling Point 105 to 107°C @ 55 mm Hg
Boiling Point 77 to 78°C @ 20 mm Hg
Vapor Pressure 0.683 mmHg @ 25 °C
Vapor Density 4
Flash Point TCC Value 72.22 °C TCC
logP (o/w) 0.646 est
Solubility
alcohol Yes
water, 5.194e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
sweet, sulfurous, vegetable, potato, earthy, tomato, metallic, fatty
General comment At 0.10 % in dipropylene glycol. sweet sulfurous vegetable potato earthy tomato
Mosciano, Gerard P&F 20, No. 4, 23, (1995) Sulfureous, vegetative, potato, earthy, tomato, metallic and fatty
Flavor Type: Sulfurous
sulfurous, potato, earthy, vegetable, fatty, fishy, metallic, mushroom
Mosciano, Gerard P&F 20, No. 4, 23, (1995) At 15.00 ppm. Sulfureous, potato, earthy, vegetative, fatty, fishy, metallic and mushroom
Used in bakery and soft confection at 2ppm, and in frozen dairy, meat products, desserts and drinks at 1ppm. Sweet

Occurrences

Potential Uses

Applications
Flavoring purposes Bakery, Beverage, Dairy, Fish, Fruit tropical fruit, Meat, Mushroom, Pineapple, Potato, Tomato
Other purposes Confection, Metallic

Safety Information

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
Click here to view publication 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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