4-mercapto-4-methylpentan-2-one

Independent reference data for 4-mercapto-4-methylpentan-2-one (CAS 19872-52-7), compiled from public chemistry databases.

Registry identifiers across databases

Computed descriptors

Physicochemical values on record

Documented uses on record

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

Synonyms and trade names

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

Regulatory listings held on file

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)

GHS hazard classification

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]

What the public record says

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. Boiling Point: 47-49 °C (15 mm Hg); Density: 1.032-1.037; Refractive Index: 1.431-1.437.

Physical description and handling notes

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