3-Methoxy-4-methylbenzoic acid structure
|
Common Name | 3-Methoxy-4-methylbenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 7151-68-0 | Molecular Weight | 166.174 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 309.9±22.0 °C at 760 mmHg | |
| Molecular Formula | C9H10O3 | Melting Point | 152-154 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 126.2±15.8 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Methoxy-4-methylbenzoic acid |
|---|---|
| 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 | 309.9±22.0 °C at 760 mmHg |
| Melting Point | 152-154 °C(lit.) |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.174 |
| Flash Point | 126.2±15.8 °C |
| Exact Mass | 166.062988 |
| PSA | 46.53000 |
| LogP | 2.48 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.541 |
| InChIKey | CEAVPXDEPGAVDA-UHFFFAOYSA-N |
| SMILES | COc1cc(C(=O)O)ccc1C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2918990090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918990090 |
|---|---|
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. 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.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Methoxy-4-methylbenzoic acid |
| 3-Methoxy-4-methyl-benzoesaeure |
| 3-Methoxy-p-toluic acid |
| 4-methyl-3-methoxybenzoic acid |
| 5-Carboxy-2-methylanisole |
| Benzoic acid,3-methoxy-4-methyl |
| 4-Methyl-m-anisic acid |
| MFCD00002566 |
| 3-methoxy-4-methyl benzoic acid |
| EINECS 230-486-1 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 3-Methoxy-4-methylbenzoic acid? |
| A: Related upstream materials(CAS) of 3-Methoxy-4-methylbenzoic acid: 586-38-9;74-88-4;3556-83-0;586-30-1;77-78-1;67868-73-9;36138-76-8;1706-11-2;7697-37-2. |
| Q: What is the molecular formula of 3-Methoxy-4-methylbenzoic acid? |
| A: Molecular formula of 3-Methoxy-4-methylbenzoic acid is C9H10O3. |
| Q: What is the LogP of 3-Methoxy-4-methylbenzoic acid? |
| A: LogP of 3-Methoxy-4-methylbenzoic acid is 2.48. |
| Q: What English synonyms does 3-Methoxy-4-methylbenzoic acid have? |
| A: English synonyms of 3-Methoxy-4-methylbenzoic acid: 3-Methoxy-4-methylbenzoic acid, 3-Methoxy-4-methyl-benzoesaeure, 3-Methoxy-p-toluic acid, 4-methyl-3-methoxybenzoic acid, 5-Carboxy-2-methylanisole, Benzoic acid,3-methoxy-4-methyl, 4-Methyl-m-anisic acid, MFCD00002566, 3-methoxy-4-methyl benzoic acid, EINECS 230-486-1. |
| Q: What is the SMILES notation of 3-Methoxy-4-methylbenzoic acid? |
| A: SMILES notation of 3-Methoxy-4-methylbenzoic acid is COc1cc(C(=O)O)ccc1C. |
| Q: What is the CAS number of 3-Methoxy-4-methylbenzoic acid? |
| A: CAS number of 3-Methoxy-4-methylbenzoic acid is 7151-68-0. |
| Q: What is the InChIKey of 3-Methoxy-4-methylbenzoic acid? |
| A: InChIKey of 3-Methoxy-4-methylbenzoic acid is CEAVPXDEPGAVDA-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 3-Methoxy-4-methylbenzoic acid? |
| A: Polar surface area (PSA) of 3-Methoxy-4-methylbenzoic acid is 46.53000. |
| Q: What is the English name of 3-Methoxy-4-methylbenzoic acid? |
| A: The English name of 3-Methoxy-4-methylbenzoic acid is 3-Methoxy-4-methylbenzoic acid. |
| Q: What is the safety information for 3-Methoxy-4-methylbenzoic acid? |
| A: Safety information for 3-Methoxy-4-methylbenzoic acid: S24/25. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |