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methyl 2-mercaptopropionate
propanoic acid, 2-mercapto-, methyl ester

Supplier Sponsors

Name:methyl 2-sulfanylpropanoate
CAS Number: 53907-46-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:258-856-8
FDA UNII: 25IZE8ZJA2
Nikkaji Web:J45.088J
MDL:MFCD16041849
XlogP3-AA:0.80 (est)
Molecular Weight:120.17116000
Formula:C4 H8 O2 S
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
Stereoisomeric composition to be specified. CASrn in Register refers to the racemate. Racemate (EFFA, 2012j).
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
DG SANTE Food Flavourings:12.266 methyl 2-mercaptopropionate
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 149.00 to 151.00 °C. @ 760.00 mm Hg
Vapor Pressure:4.055000 mmHg @ 25.00 °C. (est)
Flash Point: 104.00 °F. TCC ( 40.00 °C. )
logP (o/w): 0.978 (est)
Soluble in:
 alcohol
 water, 2.365e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl 2-mercaptopropionate
Carbosynth
For experimental / research use only.
Methyl 2-mercaptopropionate
Endeavour Specialty Chemicals
Methyl-2-mercaptopropionate 98% F&F
Speciality Chemical Product Groups
R C Treatt & Co Ltd
Methyl 2-mercaptopropionate
Robinson Brothers
Methyl-2-mercaptopropionate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-Mercaptopropionic Acid Methyl Ester
 
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 methyl 2-mercaptopropionate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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, 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

Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): 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

Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): 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 :103858
National Institute of Allergy and Infectious Diseases:Data
methyl 2-sulfanylpropanoate
Chemidplus:0053907463
 
References:
 methyl 2-sulfanylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):103858
Pubchem (sid):135061574
 
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
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 dimethyl thioglycolate
2-mercaptopropanoic acid methyl ester
2-mercaptopropionic acid methyl ester
 methyl 2-sulfanylpropanoate
 propanoic acid, 2-mercapto-, methyl ester
 
 
Notes:
None found
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