3-MERCAPTO-3-METHYL-1-BUTYL-1-FORMATE
- Product Name3-MERCAPTO-3-METHYL-1-BUTYL-1-FORMATE
- CAS50746-10-6
- CBNumberCB4200541
- MFC6H12O2S
- MW148.22
- MDL NumberMFCD08457872
- MOL File50746-10-6.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 196℃ |
| Density | 1.019 |
| refractive index | n20/D1.460-1.462 |
| FEMA | 3855 | 3-MERCAPTO-3-METHYLBUTYL FORMATE |
| FLAVIS Number | 12.138 | 3-Mercapto-3-methylbutyl formate |
| Flash point | 76℃ |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| pka | 10.88±0.10(Predicted) |
| form | solid |
| color | Colourless |
| Odor | at 0.10 % in dipropylene glycol. sulfurous catty caramelised onion; roast coffee, roast meat, with a tropical nuance on dilution |
| Odor Type | sulfurous |
| JECFA Number | 549 |
| InChI | InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3 |
| InChIKey | VTAPYUYITKYXJB-UHFFFAOYSA-N |
| SMILES | C(OC=O)CC(S)(C)C |
| LogP | 1.42 |
Safety
| Symbol(GHS) |
  
|
| Signal word | Danger |
| Hazard statements | H315-H319-H413-H372 |
| Precautionary statements | P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
