4-Mercapto-4-Methylpentan-2-One

Product Name:

4-Mercapto-4-methylpentan-2-one

Synonyms:

4-METHYL-4-MERCAPTOPENTAN-2-ONE 1% IN PG;4-METHYL-4-MERCAPTOPENTAN-2-ONE PURE;4-Methyl-4-mercaptopentane-2-one;Einecs 243-386-8;4-Methyl-4-sulfanylpentan-2-one;4-Methyl-4-Mercaptan-2-pentanone >=98.0%;2-Pentanone, 4-mercapto-4-methyl-;4-mercapto-4-methyl-2-pentanon

CAS:

19872-52-7

MF:

C6H12OS

MW:

132.22

EINECS:

243-386-8

Product Categories:

thiol Flavor

Mol File:

19872-52-7.mol

Boiling point 

174℃

density 

0.961

FEMA 

3997 | 4-MERCAPTO-4-METHYL-2-PENTANONE

Fp 

54 °C

refractive index 

1.4620

pka

10.32±0.25(Predicted)

Water Solubility 

Soluble in water.

Sensitive 

Air Sensitive

JECFA Number

1293

CAS DataBase Reference

19872-52-7(CAS DataBase Reference)

NIST Chemistry Reference

2-Pentanone, 4-mercapto-4-methyl-(19872-52-7)

EPA Substance Registry System

2-Pentanone, 4-mercapto-4-methyl- (19872-52-7)

Risk Statements 

10-36/37/38

Safety Statements 

26

TSCA 

Yes

HazardClass 

3

Chemical Properties

4-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.

Definition

ChEBI: An alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group.

Aroma threshold values

Odor threshold in water, 0.0001 to 0.005 ppb (for 2-mercapto-2-methyl-4-pentanone).