3,5-Dimethylphenylacetic acid

• Catalog Number: ACM42288460
• Product Name: 3,5-Dimethylphenylacetic acid
• CAS: 42288-46-0
• Category: Solvents
• Synonyms: 2-(3,5-dimethylphenyl)acetic acid; 3,5-Dimethylphenylacetic Acid
• IUPAC Name: 2-(3,5-dimethylphenyl)acetate
• Molecular Weight: 163.2
• Molecular Formula: C10H11O2
• Canonical SMILES: CC1=CC(CC([O-])=O)=CC(C)=C1
• InChI: 1S/C10H12O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
• InChI Key: HDNBKTWQBJJYPD-UHFFFAOYSA-M
• Boiling Point: 291ºC at 760 mmHg
• Melting Point: 98-102ºC
• Flash Point: 188.1ºC
• Density: 1.098 g/cm³
• Application: It is an active pharmaceutical intermediate.
• Assay: ≥98.0%
• Color: White to cream
• Exact Mass: 164.084
• Form: Crystals or powder or crystalline powder
• Hazard Codes: Xi:Irritant
• LogP: 1.9305
• MDL Number: MFCD00082776
• PSA: 37.3
• PubChem ID: 329780159