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

2-mercapto-3-pentanone
3-pentanone, 2-mercapto-

Supplier Sponsors

Name:2-sulfanylpentan-3-one
CAS Number: 17042-24-9Picture of molecule3D/inchi
Nikkaji Web:J624.964G
XlogP3-AA:1.10 (est)
Molecular Weight:118.19890000
Formula:C5 H10 O S
NMR Predictor:Predict (works with chrome or firefox)
Category:information only not used for fragrances or flavors
 
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
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 157.00 to 159.00 °C. @ 760.00 mm Hg
Vapor Pressure:2.743000 mm/Hg @ 25.00 °C. (est)
Flash Point: 120.00 °F. TCC ( 48.89 °C. )
logP (o/w): 1.383 (est)
Soluble in:
 alcohol
 water, 3.026e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: meaty
Odor Strength:high ,
recommend smelling in a 0.01 % solution or less
roasted meaty meaty roasted meaty
Odor Description:at 0.01 % in propylene glycol. roasted meat
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
TCI AMERICA
For experimental / research use only.
2-Mercapto-3-pentanone >95.0%(GC)(T)
 
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: information only not used for fragrances or flavors
Recommendation for 2-mercapto-3-pentanone usage levels up to:
 not for fragrance use.
 
Recommendation for 2-mercapto-3-pentanone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :529635
National Institute of Allergy and Infectious Diseases:Data
2-sulfanylpentan-3-one
 
References:
 2-sulfanylpentan-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):529635
Pubchem (sid):11077642
Flavornet:17042-24-9
 
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
HMDB (The Human Metabolome Database):HMDB35171
FooDB:FDB013811
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-mercaptopentan-3-one
2-mercaptopentanone
3-pentanone, 2-mercapto-
2-sulfanylpentan-3-one
 

Articles:

Google Patents:Sulfur compounds for enhancing coffee aroma and resultant products containing same
PubMed:Assessment of the aroma impact of major odor-active thiols in pan-roasted white sesame seeds by calculation of odor activity values.
PubMed:Evolution of S-cysteinylated and S-glutathionylated thiol precursors during oxidation of Melon B. and Sauvignon blanc musts.
PubMed:Validation of a nanoliquid chromatography-tandem mass spectrometry method for the identification and the accurate quantification by isotopic dilution of glutathionylated and cysteinylated precursors of 3-mercaptohexan-1-ol and 4-mercapto-4-methylpentan-2-one in white grape juices.
PubMed:Novel character impact compounds in Yuzu (Citrus junos Sieb. ex Tanaka) peel oil.
PubMed:Effect of pH on the Maillard reaction of [13C5]xylose, cysteine, and thiamin.
PubMed:Characterization of the aroma of a wine from maccabeo. Key role played by compounds with low odor activity values.
PubMed:Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium quality spanish aged red wines.
PubMed:Alpha-mercaptoketone formation during the maillard reaction of cysteine and [1-(13)C]ribose.
PubMed:Formation of aroma compounds from ribose and cysteine during the Maillard reaction.
 
Notes:
Aroma/flavour component of cooked meats. Maillard product from reaction of cysteine and ribose
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