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

1-mercapto-2-propanone
1-mercaptopropan-2-one

Supplier Sponsors

Name:1-sulfanylpropan-2-one
CAS Number: 24653-75-6Picture of molecule3D/inchi
FDA UNII: YAZ3C89IVG
Nikkaji Web:J346.159I
XlogP3-AA:0.30 (est)
Molecular Weight:90.14502000
Formula:C3 H6 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:557 1-mercapto-2-propanone
DG SANTE Food Flavourings:12.143 1-mercaptopropan-2-one
FEMA Number:3856 1-mercapto-2-propanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):24653-75-6 ; 1-MERCAPTO-2-PROPANONE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.81700 to 0.84700 @ 25.00 °C.
Pounds per Gallon - (est).: 6.798 to 7.048
Refractive Index:1.40000 to 1.52000 @ 20.00 °C.
Boiling Point: 47.00 to 49.00 °C. @ 19.00 mm Hg
Boiling Point: 133.00 to 134.00 °C. @ 760.00 mm Hg
Vapor Pressure:8.386000 mmHg @ 25.00 °C. (est)
Flash Point: 94.00 °F. TCC ( 34.44 °C. )
logP (o/w): 0.520 (est)
Soluble in:
 alcohol
 oils
 water, slightly
 water, 2.205e+005 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
1-Mercapto-2-propanone
BOC Sciences
For experimental / research use only.
1-Mercapto-2-propanone 95%
M&U International
2-MERCAPTO ACETONE, Kosher
Parchem
1-mercapto-2-propanone
Penta International
1-MERCAPTO-2-PROPANONE
Sunaux International
2-Mercapto Acetone
WholeChem
1-Mercapto-2-propanone
 
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-mercapto-2-propanone 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: 18
Click here to view publication 18
 average usual ppmaverage maximum ppm
baked goods: 0.300003.00000
beverages(nonalcoholic): 0.300003.00000
beverages(alcoholic): --
breakfast cereal: 0.300003.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.300003.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.300003.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5000.0000010000.00000
snack foods: --
soft candy: 0.300003.00000
soups: 0.300003.00000
sugar substitutes: --
sweet sauces: 0.300003.00000
 
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 :520144
National Institute of Allergy and Infectious Diseases:Data
1-sulfanylpropan-2-one
Chemidplus:0024653756
 
References:
 1-sulfanylpropan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):520144
Pubchem (sid):135204748
 
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):HMDB30025
FooDB:FDB001321
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:1-Mercapto-2-propanone
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FLcheese
 
Occurrence (nature, food, other):note
 pork
Search PMC Picture
 sesame seed roasted
Search Trop Picture
 
Synonyms:
2-mercapto acetone
 mercaptoacetone
1-mercaptopropan-2-one
1-mercaptopropanone
2-propanone, 1-mercapto-
1-sulfanylacetone
1-sulfanylpropan-2-one
 
 
Notes:
Present in pork volatiles. Used in roast pork flavours
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