Thiophenol
- Product NameThiophenol
- CAS108-98-5
- CBNumberCB3852774
- MFC6H6S
- MW110.18
- EINECS203-635-3
- MDL NumberMFCD00004826
- MOL File108-98-5.mol
Chemical Properties
| Melting point: | −15 °C (5 °F; 258 K) |
| Boiling point: | 169 °C (336 °F; 442 K) |
| Density | 1.0766 g/mL |
| vapor density | 3.8 (vs air) |
| vapor pressure | 1.4 mm Hg ( 20 °C) |
| refractive index | n 20/D 1.588 (lit.) |
| FEMA | 3616 | BENZENETHIOL |
| Flash point: | 56 °C; 132 °F; 329 K |
| storage temp. | Store at RT. |
| solubility | DMSO, Ethyl Acetate |
| pka | 6.6(at 25℃) |
| form | liquid |
| color | Colorless |
| PH | 5 (20°C in H2O, saturated aqueous solution) |
| Odor | Unpleasant |
| Odor Type | meaty |
| Water Solubility | insoluble |
| Specific Heat Capacity | Cp(liquid): 1.57 J/(g·K), at 25℃ |
| Sensitive | Stench |
| Merck | 14,9355 |
| JECFA Number | 525 |
| BRN | 506523 |
| Henry's Law Constant | 2.9×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Dielectric constant | 4.4(25℃) |
| Exposure limits | TLV-TWA 0.5 ppm (～2.5 mg/m3 ) (ACGIH). |
| Stability: | Stable. Flammable. May form explosive mixtures with air. Stench. Incompatible with strong oxidizing agents. |
| Major Application | agriculture cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| InChI | 1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H |
| InChIKey | RMVRSNDYEFQCLF-UHFFFAOYSA-N |
| SMILES | Sc1ccccc1 |
| LogP | 2.33 |
| CAS DataBase Reference | 108-98-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzenethiol(108-98-5) |
| EPA Substance Registry System | Thiophenol (108-98-5) |
Safety
| Symbol(GHS) |
    GHS02,GHS06,GHS08,GHS09 |
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| Signal word | Danger | |||||||||
| Hazard statements | H226-H300+H310+H330-H315-H319-H335-H361-H372-H410 | |||||||||
| Precautionary statements | P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | T+,T | |||||||||
| Risk Statements | 10-24/25-26-41-36/37/38 | |||||||||
| Safety Statements | 23-26-28-36/37/39-45-28A-16 | |||||||||
| OEL | Ceiling: 0.1 ppm (0.5 mg/m3) [15-minute] | |||||||||
| RIDADR | UN 2337 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DC0525000 | |||||||||
| F | 10-13-23 | |||||||||
| Autoignition Temperature | 450 °C | |||||||||
| Hazard Note | Toxic/Stench | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | I | |||||||||
| HS Code | 2930909099 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Acute Tox. 1 Inhalation Acute Tox. 2 Dermal Acute Tox. 2 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Flam. Liq. 3 Repr. 2 Skin Irrit. 2 |
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| Hazardous Substances Data | 108-98-5(Hazardous Substances Data) | |||||||||
| Toxicity | bird - wild,LD50,oral,24mg/kg (24mg/kg),Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |||||||||
| REACH Registrations | Active | |||||||||
| Excepted Quantities | Forbidden | |||||||||
| NFPA 704: |
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