3,4-Dimethylbenzoic acid

• Catalog Number: ACM619045-1
• Product Name: 3,4-Dimethylbenzoic acid
• CAS: 619-04-5
• Category: Solvents
• Synonyms: Paraxylic Acid; 3,4-Dimethylbenzoic acid; 3,4-Dimethyl-benzoesaeure; o-Xylene-4-carboxylic Acid; Benzoic acid,3,4-dimethyl
• IUPAC Name: 3,4-dimethylbenzoate
• Molecular Weight: 149.17
• Molecular Formula: C9H9O2
• Canonical SMILES: CC1=CC=C(C=C1C)C([O-])=O
• InChI Key: OPVAJFQBSDUNQA-UHFFFAOYSA-M
• Boiling Point: 294.6±9.0 °C at 760 mmHg
• Melting Point: 163-165 °C(lit.)
• Flash Point: 134.9±13.4 °C
• Density: 1.1±0.1 g/cm³
• Application: 3,4-Dimethylbenzoic acid acts as a product of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75.
• Assay: ≥97.5%
• Color: White
• EC Number: 210-576-7
• Exact Mass: 150.068085
• Form: Crystals or powder or crystalline powder
• Hazard Codes: Xn:Harmful
• In Vitro Studies: 3,4-Dimethylbenzoic acid is oxidised by 4-methylbenzoate (p-toluate)-grown cells of Rhodococcus rhodochrous N75 via the ortho-pathway through the intermediates 3,4-dimethylcatechol.
• LogP: 2.82
• MDL Number: MFCD00002524
• PSA: 37.3
• Refractive Index: 1.55
• Vapor Pressure: 0.0±0.7 mmHg at 25°C