3-Mercapto-2-butanone

Independent reference data for 3-Mercapto-2-butanone (CAS 40789-98-8), 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

3-Mercapto-2-butanone; 40789-98-8; 2-Mercapto-3-butanone; 3-sulfanylbutan-2-one; 2-BUTANONE, 3-MERCAPTO-; FEMA No. 3298; Mercapto-3 butanone-2; BRN 1737689; Mercapto-3 butanone-2 [French]; EINECS 255-082-2; UNII-99G79565PJ; 99G79565PJ; DTXSID90866016; 4-01-00-03993 (Beilstein Handbook Reference); 3-MERCAPTO-2-BUTANONE [FHFI]; RefChem:94532

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 Onion No safety concern at current levels of intake when used as a flavouring agent

GHS hazard classification

Reported hazard statements	H226 (11.7%), H302 (88.3%), H315 (99.2%), H319 (100%), H332 (88.3%), H335 (99.2%)

H226 (11.7%): Flammable liquid and vapor [Warning Flammable liquids]

H302 (88.3%): Harmful if swallowed [Warning Acute toxicity, oral]

What the public record says

3-Mercapto-2-butanone is identified by CAS 40789-98-8, molecular formula C4H8OS and molecular weight 104.03 g/mol. UNII 99G79565PJ; ChEBI 166838; InChIKey XLMPYCGSRHSSSX-UHFFFAOYSA-N. Boiling Point: 50 °C (18 mm Hg); Density: 1.016 (20 °C); Refractive Index: 1.469-1.479.

Physical description and handling notes

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