W329800

3-Mercapto-2-butanone

≥95%, FG

• Synonym(s): 3-sulfanylbutan-2-one
• Linear Formula: CH₃CH(SH)COCH₃
• CAS Number: 40789-98-8
• Molecular Weight: 104.17
• FEMA Number: 3298
• EC Number: 255-082-2
• Council of Europe no.: 11497
• MDL number: MFCD00085206
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901620
• Flavis number: 12.047
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Halal; Kosher
• reg. compliance: EU Regulation 1334/2008 & 872/2012
• assay: ≥95%
• bp: 48-49 °C/15 mmHg (lit.)
• density: 1.035 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: meaty; onion; roasted; sulfurous
• storage temp.: 2-8°C
• SMILES string: CC(S)C(C)=O
• InChI: 1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3
• InChI key: XLMPYCGSRHSSSX-UHFFFAOYSA-N

Description

General description

3-Mercapto-2-butanone is a sulfur-containing flavor compound mainly found in meat and meat products. It is formed by the Maillard reaction between sugars and cysteine or thiamin, which are known precursors for meat-like flavorings.

Biochem/physiol Actions

Taste at 0.3-1.0 ppm

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H315,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 117.0 °F - closed cup
• flash_point_c: 47.2 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter