2,5-Dimethylbenzoic acid

• CAS: 610-72-0
• Catalog Number: ACM610720
• Category: Solvents
• Molecular Weight: 150.18
• Molecular Formula: C9H10O2
• Description: 2,5-Dimethylbenzoic acid is a metabolite of pseudocumene (1,2,4-trimethylbenzene).
• Synonyms: benzoic acid, 2,5-dimethyl-; p-Xylylic acid
• IUPAC Name: 2,5-dimethylbenzoic acid
• Canonical SMILES: CC1=CC=C(C)C(=C1)C(O)=O
• InChI: 1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
• InChI Key: XZRHNAFEYMSXRG-UHFFFAOYSA-N
• Boiling Point: 274.2±9.0 °C at 760 mmHg
• Melting Point: 132-134 °C(lit.)
• Flash Point: 126.7±13.4 °C
• Density: 1.1±0.1 g/cm³
• Application: 2,5-Dimethylbenzoic acid was used in the synthesis of new derivatives of [24]paracyclophane. It was used as starting reagent in the synthesis of methyl 2,5-dimethylbenzoate.
• Assay: 0.95
• Beilstein: 971588
• Color: White to off-white
• EC Number: 210-235-2
• Exact Mass: 150.068085
• Form: Crystalline powder
• Hazard Codes: Xi:Irritant
• Hazard Statements: H315-H319-H335
• LogP: 2.82
• MDL Number: MFCD00002482
• NACRES: NA.22
• PSA: 37.3
• PubChem ID: 24848237
• Refractive Index: 1.55
• Vapor Pressure: 0.0±0.6 mmHg at 25°C
• WGK Germany: 3