4-Mercapto-4-methyl-2-pentanone

Name: 4-Mercapto-4-methyl-2-pentanone
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160308

CAS 19872-52-7C6H12OSMW 132.06 g/mol

4-Mercapto-4-methyl-2-pentanone (CAS 19872-52-7) — formula C6H12OS, molecular weight 132.06 g/mol.

Specifications

CAS Number19872-52-7

Molecular FormulaC6H12OS

Molecular Weight132.06 g/mol

Boiling Point47-49 °C (15 mm Hg)

LogP0.8

Purchase Profile

What this product is

4-Mercapto-4-methyl-2-pentanone is a chemical compound with CAS registry number 19872-52-7 and molecular formula C6H12OS (molecular weight 132.06 g/mol).

Identification

CAS number: 19872-52-7

Its molecular formula C6H12OS comprises 6 C, 12 H, 1 O, 1 S atoms.

Also known as: 4-Mercapto-4-methyl-2-pentanone · 4-mercapto-4-methylpentan-2-one · 4-Methyl-4-mercapto-pentan-2-one

Frequently Asked Questions

What is the CAS number of 4-Mercapto-4-methyl-2-pentanone?

The CAS registry number of 4-Mercapto-4-methyl-2-pentanone is 19872-52-7.

What is the molecular formula and molecular weight of 4-Mercapto-4-methyl-2-pentanone?

Molecular formula C6H12OS, molecular weight 132.06 g/mol.

What other names is 4-Mercapto-4-methyl-2-pentanone known by?

It is also registered under: 4-Mercapto-4-methyl-2-pentanone, 4-mercapto-4-methylpentan-2-one, 4-Methyl-4-mercapto-pentan-2-one.

PubChem Public Data

Public-database records for 4-Mercapto-4-methyl-2-pentanone (CAS 19872-52-7), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	71.2% (116 / 163)
Reported hazard statements	H226 (28.8%), H315 (24.5%), H319 (27.6%), H335 (27%)

This chemical does not meet GHS hazard criteria for 71.2% (116 of 163) of all reports.

H226 (28.8%): Flammable liquid and vapor [Warning Flammable liquids]

Regulatory listings

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Black Currant, Box Tree, Cat, Citrus, Meat No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	71.2% (116 / 163)

Physical description and handling notes

colourless to pale yellow liquid; roasted meaty aroma
Soluble in water; Insoluble in fat
partially soluble (in ethanol)

Reported physical properties

沸点	47-49 °C (15 mm Hg)
密度	1.032-1.037
折射率	1.431-1.437

How this substance is indexed

CAS Registry Number	19872-52-7
PubChem CID	88290
分子式	C6H12OS
分子量	132.06 g/mol
IUPAC 名称	4-methyl-4-sulfanylpentan-2-one
InChIKey	QRNZMFDCKKEPSX-UHFFFAOYSA-N
UNII（FDA）	9524RG5ZQL
ChEBI 编号	CHEBI:77856
FEMA 编号	3997
JECFA 编号	1293

Documented uses

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
2-Pentanone, 4-mercapto-4-methyl-: ACTIVE

Names this substance appears under

19872-52-7; 4-Mercapto-4-methyl-2-pentanone; 4-Mercapto-4-methylpentan-2-one; 4-methyl-4-sulfanylpentan-2-one; 2-Pentanone, 4-mercapto-4-methyl-; 4-methyl-4-mercapto-2-pentanone; 9524RG5ZQL; DTXSID8051839; FEMA NO. 3997; CHEBI:77856; 2-MERCAPTO-2-METHYLPENTAN-4-ONE; RefChem:524398; DTXCID3030395; 243-386-8; 4-Methyl-4-mercaptopentan-2-one; 4-Methyl-4-thiolpentan-2-one

Computed molecular descriptors

分子量	132.23
XLogP3	0.8
氢键供体数	1
氢键受体数	2
可旋转键数	2
精确质量	132.06088618
单同位素质量	132.06088618
拓扑极性表面积	18.1
重原子数	8
形式电荷	0

Database abstract

4-Mercapto-4-methyl-2-pentanone is identified by CAS 19872-52-7, molecular formula C6H12OS and molecular weight 132.06 g/mol. UNII 9524RG5ZQL; ChEBI 77856; InChIKey QRNZMFDCKKEPSX-UHFFFAOYSA-N. 沸点: 47-49 °C (15 mm Hg); 密度: 1.032-1.037; Refractive Index: 1.431-1.437.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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