2-mercapto-3-pentanone

General Material Information

Preferred name	2-mercapto-3-pentanone
Trivial Name	2-Mercapto-3-pentanone
Short Description	3-pentanone, 2-mercapto-
Formula	C5 H10 O S
CAS Number	17042-24-9
FDA UNII	Search
Nikkaji Number	J624.964G
xLogP3-AA	1.10 (est)
NMR Predictor	External link
Synonyms	2-mercaptopentan-3-one 2-mercaptopentanone 3-pentanone, 2-mercapto- 2-sulfanylpentan-3-one 2-sulfanylpentan-3-one 3-Pentanone, 2-mercapto-

Publications by Google Patents
Sulfur compounds for enhancing coffee aroma and resultant products containing same
Publications by PubMed
Assessment of the aroma impact of major odor-active thiols in pan-roasted white sesame seeds by calculation of odor activity values.
Evolution of S-cysteinylated and S-glutathionylated thiol precursors during oxidation of Melon B. and Sauvignon blanc musts.
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.
Novel character impact compounds in Yuzu (Citrus junos Sieb. ex Tanaka) peel oil.
Effect of pH on the Maillard reaction of [13C5]xylose, cysteine, and thiamin.
Characterization of the aroma of a wine from maccabeo. Key role played by compounds with low odor activity values.
Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium quality spanish aged red wines.
Alpha-mercaptoketone formation during the maillard reaction of cysteine and [1-(13)C]ribose.
Formation of aroma compounds from ribose and cysteine during the Maillard reaction.

(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):	HMDB35171
FooDB:	FDB013811
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	118.19889831543
Boiling Point	157 to 159°C @ 760 mm Hg
Vapor Pressure	2.743 mmHg @ 25 °C
Flash Point TCC Value	48.89 °C TCC
logP (o/w)	1.383 est
Solubility
alcohol	Yes
water, 3.026e+004 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Meaty
roasted, meaty, meaty roasted meaty
General comment	At 0.01 % in propylene glycol. roasted meat

Preferred SDS: View

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

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.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :529635

National Institute of Allergy and Infectious Diseases:Data

2-sulfanylpentan-3-one