2-Ethylbenzenethiol
- Product Name2-Ethylbenzenethiol
- CAS4500-58-7
- CBNumberCB3147102
- MFC8H10S
- MW138.23
- EINECS224-811-6
- MDL NumberMFCD00010022
- MOL File4500-58-7.mol
Chemical Properties
| Melting point: | -30°C (estimate) |
| Boiling point: | 203-205 °C (lit.) |
| Density | 1.025 g/mL at 25 °C (lit.) |
| FEMA | 3345 | 2-ETHYLTHIOPHENOL |
| refractive index | n |
| Flash point: | 177 °F |
| pka | 6.81±0.43(Predicted) |
| Specific Gravity | 1.025 |
| Odor | at 0.10 % in propylene glycol. sulfurous roasted meaty smoky |
| Odor Type | sulfurous |
| biological source | synthetic |
| Sensitive | Air Sensitive |
| JECFA Number | 529 |
| BRN | 2553288 |
| Major Application | flavors and fragrances |
| InChI | 1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3 |
| InChIKey | ABROBCBIIWHVNS-UHFFFAOYSA-N |
| SMILES | CCc1ccccc1S |
| LogP | 3.51 |
| CAS DataBase Reference | 4500-58-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Ethylbenzenethiol(4500-58-7) |
| EPA Substance Registry System | Benzenethiol, 2-ethyl- (4500-58-7) |
Safety
| Symbol(GHS) |
  GHS06,GHS07 |
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| Signal word | Warning | |||||||||
| Hazard statements | H227-H302-H312-H331-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338-P210e-P280-P405-P501a | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36-37/39 | |||||||||
| RIDADR | 2810 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2930909099 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| Hazard Classifications |
Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| NFPA 704: |
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