37887-04-0
| Name | 2-Mercapto-3-butanol |
| CAS | 37887-04-0 |
| EINECS(EC#) | 253-701-0 |
| Molecular Formula | C4H10OS |
| MDL Number | MFCD00010271 |
| Molecular Weight | 106.19 |
| MOL File | 37887-04-0.mol |
Chemical Properties
| Boiling point | 53 °C/10 mmHg (lit.) |
| density | 1.013 g/mL at 25 °C(lit.) |
| FEMA | 3502 |
| refractive index | n |
| Fp | 143 °F |
| pka | 10.57±0.10(Predicted) |
| Specific Gravity | 0.999 |
| Odor | at 0.10 % in propylene glycol. sulfury roasted onion garlic meaty |
| biological source | synthetic |
| Odor Type | sulfurous |
| JECFA Number | 546 |
| Major Application | flavors and fragrances |
| InChI | InChI=1/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+/s3 |
| InChIKey | MJQWABQELVFQJL-QZMQZWAZNA-N |
| SMILES | C[C@@H](O)[C@@H](S)C |&1:1,3,r| |
| LogP | 0.47 |
| CAS DataBase Reference | 37887-04-0(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3336 3/PG 3 |
| WGK Germany | 3 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |