CAS 118-90-1|2-Methylbenzoic acid
Introduction：Basic information about CAS 118-90-1|2-Methylbenzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Methylbenzoic acid | ||
|---|---|---|---|
| CAS Number | 118-90-1 | Molecular Weight | 136.148 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 260.9±9.0 °C at 760 mmHg |
| Molecular Formula | C8H8O2 | Melting Point | 103 °C |
| MSDS | ChineseUSA | Flash Point | 118.8±13.4 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | o-toluic acid |
|---|---|
| Synonym | More Synonyms |
2-Methylbenzoic acid BiologicalActivity
| Description | o-Toluic acid (2-Methylbenzoic acid) is a benzoic acid substituted by a methyl group at position 2. O-Toluic acid plays a role as a xenobiotic metabolite. |
|---|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
| Target | IC50: xenobiotic metabolite |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 260.9±9.0 °C at 760 mmHg |
| Melting Point | 103 °C |
| Molecular Formula | C8H8O2 |
| Molecular Weight | 136.148 |
| Flash Point | 118.8±13.4 °C |
| Exact Mass | 136.052429 |
| PSA | 37.30000 |
| LogP | 2.36 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.556 |
| InChIKey | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
| SMILES | Cc1ccccc1C(=O)O |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| Water Solubility | <0.1 g/100 mL at 19 ºC |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 422 mg/kg
- TOXIC EFFECTS :
- Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1020,1968
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22 |
| Safety Phrases | S26-S36-S22 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | XU1400000 |
| HS Code | 2916391000 |
Customs
| HS Code | 2916391000 |
|---|---|
| Summary | 2916391000 2-methylbenzoic acid。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。Lowest tariff:6.5%。General tariff:30.0% |
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Synonyms
| o-tolualdehyde diethyl acetal |
| o-Methylbenzoic Acid |
| 2-toluic acid |
| Benzoic acid, 2-methyl- |
| Toluenecarboxylic acid |
| 2-Methyl Benzoic acid |
| ortho methyl benzoic acid |
| 2-Methyl-benzaldehyd-diethylacetal |
| o-Toluate |
| toluic acid |
| ortho-toluic acid |
| methylbenzoic acid |
| o-Toluic Acid |
| ortho-methylbenzoic acid |
| o-toluenecarboxylic acid |
| 2-Methyl-benzaldehyd-diaethylacetal |
| EINECS 204-284-9 |
| MFCD00002477 |
| 2-methyl-benzaldehyde diethylacetal |
| 2-Methylbenzoic acid |
