4-Mercapto-4-methylpentan-2-one

4-Mercapto-4-methylpentan-2-one Basic information
Product Name:4-Mercapto-4-methylpentan-2-one
Synonyms:2-Pentanone, 4-mercapto-4-methyl-;4-mercapto-4-methyl-2-pentanon;4-Methyl-4-sulfanyl-2-pentanone;4-Methyl-4-thiolpentan-2-one;4-sulfanyl-4-methylpentan-2-one;4-Sulphanyl-4-methylpentan-2-one;2-METHYL-4-OXOPENTANE-2-THIOL;2-MERCAPTO-2-METHYLPENTAN-4-ONE
CAS:19872-52-7
MF:C6H12OS
MW:132.22
EINECS:243-386-8
Product Categories:thiol Flavor
Mol File:19872-52-7.mol
4-Mercapto-4-methylpentan-2-one Structure
4-Mercapto-4-methylpentan-2-one Chemical Properties
Boiling point 174℃
density 0.961
FEMA 3997 | 4-MERCAPTO-4-METHYL-2-PENTANONE
refractive index 1.4620
Fp 54 °C
storage temp. Inert atmosphere,Room Temperature
solubility Chloroform (Soluble), Methanol (Slightly)
pka10.32±0.25(Predicted)
form clear liquid
color Colorless to Light yellow
Odorat 0.10 % in propylene glycol. sulfurous meaty catty black currant
Odor Typesulfurous
Water Solubility Soluble in water.
Sensitive Air Sensitive
JECFA Number1293
Stability:Hygroscopic
LogP1.23
CAS DataBase Reference19872-52-7(CAS DataBase Reference)
NIST Chemistry Reference2-Pentanone, 4-mercapto-4-methyl-(19872-52-7)
EPA Substance Registry System2-Pentanone, 4-mercapto-4-methyl- (19872-52-7)
Safety Information
Risk Statements 10-36/37/38
Safety Statements 26
TSCA Yes
HS Code 2930.90.9250
HazardClass 3
MSDS Information
4-Mercapto-4-methylpentan-2-one Usage And Synthesis
Chemical Properties4-Mercapto-4-methyl-2-pentanone is repellent when neat or in high concentrations. It has a meaty, black currant-like odor. It is used to create the “catty note” (cat-like) of black currant.
OccurrenceReportedly present in sauvignon grapes, cabernet sauvignon wine, beer, green tea and grapefruit juice.
Uses4-Mercapto-4-methyl-2-pentanone is one of the most strongly contributing odorants in the volatile fraction of a Japanese green tea (sen-cha) infusion, and on the basis of the results of an aroma extract dilution analysis. 4-mercapto-4-methyl-2-pentanone in the grapefruit/sulfury group was found in reconstituted concentrate after thermal concentration.
DefinitionChEBI: An alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group.
Aroma threshold valuesOdor threshold in water, 0.0001 to 0.005 ppb (for 2-mercapto-2-methyl-4-pentanone).
4-Mercapto-4-methylpentan-2-one Preparation Products And Raw materials
Preparation Products3,3,5,5-Tetramethyl-1,2,4-trithiolane
Methyl Methyl cyclopentenolone Calcium thioglycolate Bensulfuron methyl Parathion-methyl 2-Ethylhexyl mercaptoacetate Mesotrione AKOS 94265 MENADIONE SODIUM BISULFITE HYDRATE 4-Mercapto-4-methylpentan-2-one 3-Mercapto-2-pentanone METHYL-2-PYRROLIDONE Kresoxim-methyl 4-Methylthio-4-methyl-2-pentanone WS 009B Thiophanate-methyl METSULFURON METHYL Menadione sodium bisulfite

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