Methyl toluenesulfonate
Methyl toluenesulfonate structure
|
Common Name | Methyl toluenesulfonate | ||
|---|---|---|---|---|
| CAS Number | 28804-47-9 | Molecular Weight | 186.228 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 289.2±19.0 °C at 760 mmHg | |
| Molecular Formula | C8H10O3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 128.7±21.5 °C | |
Summary: Methyl toluenesulfonate, also known as邻/对甲苯磺酸甲酯, is a pale yellow transparent liquid with CAS number 28804-47-9. Its molecular formula is C8H10O3S and molecular weight is 186.228. The boiling point is 289.2±19.0 °C, and the density is 1.2±0.1 g/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 | Methyl toluenesulfonate |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 289.2±19.0 °C at 760 mmHg |
| Molecular Formula | C8H10O3S |
| Molecular Weight | 186.228 |
| Flash Point | 128.7±21.5 °C |
| Exact Mass | 186.035065 |
| PSA | 51.75000 |
| LogP | 1.30 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.517 |
| InChIKey | AXCVRQKOVCRCIX-UHFFFAOYSA-N |
| SMILES | CC1=CC=CC=C1S(=O)(=O)OC |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn: Harmful;N: Dangerous for the environment; |
|---|---|
| Risk Phrases | R21;R36/38;R43 |
| RIDADR | UN 3082 |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Methyl 2-methylbenzenesulfonate |
| Methyl toluenesulfonate |
| Benzenesulfonic acid, 2-methyl-, methyl ester |
| ortho-Toluenesulfonic acid, methyl ester |
| Benzenesulfonic acid, methyl-, methyl ester |
| o-Toluenesulfonic acid, methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of Methyl toluenesulfonate? |
| A: The English name of Methyl toluenesulfonate is Methyl toluenesulfonate. |
| Q: What is the SMILES notation of Methyl toluenesulfonate? |
| A: SMILES notation of Methyl toluenesulfonate is CC1=CC=CC=C1S(=O)(=O)OC. |
| Q: What English synonyms does Methyl toluenesulfonate have? |
| A: English synonyms of Methyl toluenesulfonate: Methyl 2-methylbenzenesulfonate, Methyl toluenesulfonate, Benzenesulfonic acid, 2-methyl-, methyl ester, ortho-Toluenesulfonic acid, methyl ester, Benzenesulfonic acid, methyl-, methyl ester, o-Toluenesulfonic acid, methyl ester. |
| Q: What is the CAS number of Methyl toluenesulfonate? |
| A: CAS number of Methyl toluenesulfonate is 28804-47-9. |
| Q: What is the InChIKey of Methyl toluenesulfonate? |
| A: InChIKey of Methyl toluenesulfonate is AXCVRQKOVCRCIX-UHFFFAOYSA-N. |
| Q: What is the LogP of Methyl toluenesulfonate? |
| A: LogP of Methyl toluenesulfonate is 1.30. |
| Q: What is the polar surface area (PSA) of Methyl toluenesulfonate? |
| A: Polar surface area (PSA) of Methyl toluenesulfonate is 51.75000. |
| Q: What is the molecular formula of Methyl toluenesulfonate? |
| A: Molecular formula of Methyl toluenesulfonate is C8H10O3S. |
| Q: What is the boiling point of Methyl toluenesulfonate? |
| A: Boiling point of Methyl toluenesulfonate is 289.2±19.0 °C at 760 mmHg. |
| Q: What is the molecular weight of Methyl toluenesulfonate? |
| A: Molecular weight of Methyl toluenesulfonate is 186.228. |
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. |