ChemicalBook CAS DataBase List 19872-52-7

19872-52-7

Name	4-Mercapto-4-methylpentan-2-one
CAS	19872-52-7
EINECS(EC#)	243-386-8
Molecular Formula	C6H12OS
MDL Number	MFCD00085208
Molecular Weight	132.22
MOL File	19872-52-7.mol

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

Chemical Properties

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
InChI	1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey	QRNZMFDCKKEPSX-UHFFFAOYSA-N
SMILES	CC(=O)CC(C)(C)S
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 Data

Risk Statements	10-36/37/38 less more
Safety Statements	26 less more
WGK Germany	WGK 3
TSCA	Yes
HS Code	2930.90.9250
HazardClass	3
Storage Class	3 - Flammable liquids
Hazard Classifications	Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3

Hazard Information

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