o-Thiocresol
o-Thiocresol structure
|
Common Name | o-Thiocresol | ||
|---|---|---|---|---|
| CAS Number | 137-06-4 | Molecular Weight | 124.203 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 195.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C7H8S | Melting Point | 10-12 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 63.9±0.0 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
Summary: 2- Mercaptotoluene, also known as o-thiocresol, has a Chinese name of 2-Methylbenzenethiol and an English name of o-Thiocresol, with CAS number 137-06-4. Its molecular formula is C7H8S and molecular weight is 124.203. It appears as a brown transparent liquid, with a melting point of 10-12°C and a boiling point of 195.0±0.0°C, and a density of 1.0±0.1g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Methylbenzenethiol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 195.0±0.0 °C at 760 mmHg |
| Melting Point | 10-12 °C(lit.) |
| Molecular Formula | C7H8S |
| Molecular Weight | 124.203 |
| Flash Point | 63.9±0.0 °C |
| Exact Mass | 124.034668 |
| PSA | 38.80000 |
| LogP | 2.98 |
| Vapour Pressure | 0.6±0.3 mmHg at 25°C |
| Index of Refraction | 1.578 |
| InChIKey | LXUNZSDDXMPKLP-UHFFFAOYSA-N |
| SMILES | Cc1ccccc1S |
| Water Solubility | insoluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H315-H318-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S39-S36/37/39 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| RTECS | XT8750000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 29309070 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 8 | |
CAS#:95-46-5
CAS#:615-37-2
CAS#:624-92-0
CAS#:108-95-2
CAS#:4032-80-8
CAS#:14092-00-3
CAS#:108-88-3
CAS#:7305-14-8
CAS#:95-48-7
CAS#:14315-15-2
CAS#:20884-72-4
CAS#:2344-70-9
CAS#:84635-36-9
CAS#:604-68-2
CAS#:29373-02-2
CAS#:24309-31-7
CAS#:23405-48-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-toluenethiol |
| o-Toluenethiol |
| MFCD00004838 |
| toluenethiol |
| o-Thiocresol |
| o-Toluenethiole |
| EINECS 205-276-8 |
| o-Mercaptotoluene |
| 2-Methylthiophenol |
| o-methylbenzenethiol |
| 2-THIOCRESOL |
| o-Tolyl mercaptan |
| 2-Mercaptotoluene |
| 2-Methylbenzenethiol |
| Benzenethiol,2-methyl |
| 2-Methylbenzenethiol,o-Thiocresol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2-Methylbenzenethiol? |
| A: Molecular formula of 2-Methylbenzenethiol is C7H8S. |
| Q: What is the molecular weight of 2-Methylbenzenethiol? |
| A: Molecular weight of 2-Methylbenzenethiol is 124.203. |
| Q: What is the LogP of 2-Methylbenzenethiol? |
| A: LogP of 2-Methylbenzenethiol is 2.98. |
| Q: What are the upstream materials of 2-Methylbenzenethiol? |
| A: Related upstream materials(CAS) of 2-Methylbenzenethiol: 95-46-5;615-37-2;624-92-0;108-95-2;4032-80-8;14092-00-3;108-88-3;7305-14-8;95-48-7. |
| Q: What is the polar surface area (PSA) of 2-Methylbenzenethiol? |
| A: Polar surface area (PSA) of 2-Methylbenzenethiol is 38.80000. |
| Q: What is the melting point of 2-Methylbenzenethiol? |
| A: Melting point of 2-Methylbenzenethiol is 10-12 °C(lit.). |
| Q: What are the downstream products of 2-Methylbenzenethiol? |
| A: Related downstream products(CAS) of 2-Methylbenzenethiol: 14315-15-2;20884-72-4;2344-70-9;84635-36-9;604-68-2;29373-02-2;24309-31-7;23405-48-3. |
| Q: What is the safety information for 2-Methylbenzenethiol? |
| A: Safety information for 2-Methylbenzenethiol: S26-S39-S36/37/39. |
| Q: What English synonyms does 2-Methylbenzenethiol have? |
| A: English synonyms of 2-Methylbenzenethiol: 2-toluenethiol, o-Toluenethiol, MFCD00004838, toluenethiol, o-Thiocresol, o-Toluenethiole, EINECS 205-276-8, o-Mercaptotoluene, 2-Methylthiophenol, o-methylbenzenethiol, 2-THIOCRESOL, o-Tolyl mercaptan, 2-Mercaptotoluene, 2-Methylbenzenethiol, Benzenethiol,2-methyl, 2-Methylbenzenethiol,o-Thiocresol. |
| Q: What is the CAS number of 2-Methylbenzenethiol? |
| A: CAS number of 2-Methylbenzenethiol is 137-06-4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |