CAS Number118-90-1
Synonymso-tolualdehyde diethyl acetal; o-Methylbenzoic Acid; 2-toluic acid; 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
Molecular FormulaCH3C6H4CO2H
Molecular Weight136.15
Purity99%
Density1.2±0.1 g/cm3
Boiling Point258-259 °C (lit.)
Melting Point102-104 °C (lit.)
AppearanceLight yellow crystal or off-white flake solid
EINECS204-284-9
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 118-90-1 |
| Catalog No. | 2A-9013342 |
| Chinese Name | 邻甲基苯甲酸 |
| Synonyms | o-tolualdehyde diethyl acetal; o-Methylbenzoic Acid; 2-toluic acid; 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 |
| Molecular Formula | CH3C6H4CO2H |
| Molecular Weight | 136.15 |
| Purity | 99 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 258-259 °C (lit.) |
| Melting Point | 102-104 °C (lit.) |
| Appearance | Light yellow crystal or off-white flake solid |
| Water Solubility | <0.1 g/100 mL at 19 ºC |
| Storage Condition | Store sealed in a cool, dry place. Make sure the w |
| Application | O-toluic acid (2-Methylbenzoic acid) is benzoic acid substituted with a methyl group at position 2. O-toluic acid can act as an exogenous metabolite. |
| EINECS | 204-284-9 |
| HTC | 2916391000 |
| UN(IATA) | UN 无资料 |
| PubChem ID | 24900155 |
| MDL Number | MFCD00002477 |
| SMILES | Cc1ccccc1C(O)=O |
| InChI | 1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) |
| InChI Key | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1072103 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/13342_1_118_90_1.pdf |
| Bioactivity | 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 >> Others Signaling 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 |
| Use of | 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. Properties Name o-toluic acid Synonym More Synonyms 2-Methylbenzoic acid Biological Activity 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 >> Others Signaling Pathways >> Others >> Others IC50: xenobiotic metabolite Chemical & Physical Properties Molecular Formula C8H8O2 Exact Mass 136.052429 PSA 37.30000 Index of Refraction 1.556 InChIKey ZWLPBLYKEWSWPD-UHFFFAOYSA-N Stability Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Chemical name |
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