3-Mercapto-2-butanone
ALDRICH/W329800 - ≥95%, FG
Synonym: 3-
CAS Number: 40789-98-8
Empirical Formula (Hill Notation): C4H8OS
Molecular Weight: 104.17
EC Number: 255-082-2
MDL Number: MFCD00085206
Linear Formula: CH3CH(SH)COCH3
Product Type: Chemical
| application(s) | flavors and fragrances |
| assay | ≥95% |
| biological source | synthetic |
| bp | 48-49 °C/15 mmHg (lit.) |
| density | 1.035 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| Kosher | |
| InChI | 1S/C4H8OS/c1-3(5)4(2)6/h4 |
| InChI key | XLMPYCGSRHSSSX-UHFFFAOYSA |
| organoleptic | meaty; onion; roasted; sulfurous |
| Quality Level | 400  |
| reg. compliance | EU Regulation 1334/2008 & 872/2012 |
| SMILES string | CC(S)C(C)=O |
| storage temp. | 2-8°C |
| Biochem/physiol Actions: | Taste at 0.3-1.0 ppm |
| 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. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 25, 100 g in glass bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H315 - H319 - H335 |
| Precautionary statements | P210 - P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 1993C 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 117.0 °F - closed cup |
| Flash Point(C) | 47.2 °C - closed cup |
| Purity | ≥95% |
| bp | 48-49 °C/15 mmHg (lit.) |
| Density | 1.035 g/mL at 25 °C (lit.) |
| Storage Temp. | 2-8°C |
| FEMA Number | 3298 |
| UNSPSC | 12164502 |