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19872-52-7

19872-52-7 Structure

19872-52-7 Structure
IdentificationMore
[Name]

4-Mercapto-4-methylpentan-2-one
[CAS]

19872-52-7
[Synonyms]

2-MERCAPTO-2-METHYLPENTAN-4-ONE
2-METHYL-4-OXOPENTANE-2-THIOL
4-MERCAPTO-4-METHYL-2-PENTANONE
4-MERCAPTO-4-METHYLPENTAN-2-ONE
4-METHYL-4-MERCAPTO-2-PENTANONE
4-METHYL-4-MERCAPTOPENTAN-2-ONE
CAT KETONE
FEMA 3997
METHYLMERCAPTOPENTANONE
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
4-METHYL-4-MERCAPTAN-2-PENTANONE
4-METHYL-4-MERCAPTOPENTAN-2-ONE 1% IN PG
4-METHYL-4-MERCAPTOPENTAN-2-ONE PURE
4-Methyl-4-mercaptopentane-2-one
[EINECS(EC#)]

243-386-8
[Molecular Formula]

C6H12OS
[MDL Number]

MFCD00085208
[Molecular Weight]

132.22
[MOL File]

19872-52-7.mol
Chemical PropertiesBack Directory
[Boiling point ]

174℃
[density ]

0.961
[FEMA ]

3997
[Fp ]

54 °C
[refractive index ]

1.4620
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Soluble), Methanol (Slightly)
[form ]

clear liquid
[pka]

10.32±0.25(Predicted)
[color ]

Colorless to Light yellow
[Odor]

at 0.10 % in propylene glycol. sulfurous meaty catty black currant
[Odor Type]

sulfurous
[Water Solubility ]

Soluble in water.
[Sensitive ]

Air Sensitive
[JECFA Number]

1293
[Stability:]

Hygroscopic
[LogP]

1.23
[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]

19872-52-7(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

10-36/37/38
[Safety Statements ]

26
[TSCA ]

Yes
[HS Code ]

2930.90.9250
[HazardClass ]

3
Hazard InformationBack Directory
[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.
[Occurrence]

Reportedly present in sauvignon grapes, cabernet sauvignon wine, beer, green tea and grapefruit juice.
[Uses]

4-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.
[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).
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