2-Phenylethanethiol
- Product Name2-Phenylethanethiol
- CAS4410-99-5
- CBNumberCB9853627
- MFC8H10S
- MW138.23
- EINECS224-563-9
- MDL NumberMFCD00004891
- MOL File4410-99-5.mol
Chemical Properties
| Melting point: | -30°C (estimate) |
| Boiling point: | 218 °C |
| Density | 1.03 |
| refractive index | 1.56 |
| FEMA | 3894 | PHENYLETHYL MERCAPTAN |
| Flash point: | 90 °C |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| pka | 10.40±0.10(Predicted) |
| form | clear liquid |
| color | Colorless to Light yellow |
| Odor | at 0.10 % in propylene glycol. rubber sulfurous |
| Odor Type | rubbery |
| biological source | synthetic |
| JECFA Number | 527 |
| BRN | 1446618 |
| Stability: | Stable. Incompatible with strong bases, strong oxidizing agents. |
| Major Application | flavors and fragrances |
| InChI | 1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey | ZMRFRBHYXOQLDK-UHFFFAOYSA-N |
| SMILES | SCCc1ccccc1 |
| LogP | 2.90 |
| CAS DataBase Reference | 4410-99-5(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302+H312+H332-H315-H319-H335 | |||||||||
| Precautionary statements | P280-P301+P312-P362+P364 | |||||||||
| PPE | Eyeshields, Gloves, multi-purpose combination respirator cartridge (US) | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 20/21/22 | |||||||||
| Safety Statements | 23-24/25-36/37 | |||||||||
| RIDADR | UN 3334 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 13 | |||||||||
| HS Code | 2930909099 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| NFPA 704: |
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