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

4-mercapto-2-butanone
2-keto-4-butanethiol

Supplier Sponsors

Name:4-sulfanylbutan-2-one
CAS Number: 34619-12-0Picture of molecule3D/inchi
FDA UNII: RZB3QJ7Y8Q
Nikkaji Web:J740.286D
MDL:MFCD03005196
CoE Number:11498
XlogP3-AA:0.20 (est)
Molecular Weight:104.17196000
Formula:C4 H8 O S
NMR Predictor:Predict (works with chrome, Edge 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:559 2-keto-4-butanethiol
DG SANTE Food Flavourings:12.055 1-mercaptobutan-3-one
FEMA Number:3357 2-keto-4-butanethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):34619-12-0 ; 2-KETO-4-BUTANETHIOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85500 to 0.86100 @ 25.00 °C.
Pounds per Gallon - (est).: 7.114 to 7.164
Refractive Index:1.47200 to 1.47800 @ 20.00 °C.
Boiling Point: 59.00 to 60.00 °C. @ 15.00 mm Hg
Boiling Point: 166.00 to 167.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.740000 mmHg @ 25.00 °C. (est)
Flash Point: 130.00 °F. TCC ( 54.44 °C. )
logP (o/w): 0.667 (est)
Soluble in:
 water, 7.669e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: sulfurous
sulfurous onion
Odor Description:at 0.10 % in propylene glycol. sulfurous onion
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-Mercapto-2-butanone 95%
DeLong Chemicals America
4-Mercapto-2-butanone
Parchem
4-mercapto-2-butanone
Penta International
2-KETO-4-BUTANETHIOL
 
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 4-mercapto-2-butanone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (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: -0.20000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.20000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.20000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.20000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61936
National Institute of Allergy and Infectious Diseases:Data
4-sulfanylbutan-2-one
Chemidplus:0034619120
 
References:
 4-sulfanylbutan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):61936
Pubchem (sid):135018499
 
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):HMDB41015
FooDB:FDB020879
ChemSpider:View
FAO:2-Keto-4-butanethiol
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-keto-4-butane thiol
2-keto-4-butanethiol
2-butanone, 4-mercapto-
1-mercaptobutan-3-one
4-sulfanylbutan-2-one
 
 
Notes:
Flavouring ingredient
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy