2,5-Dimethylphenylacetone

• CAS: 53291-89-7
• Catalog Number: ACM53291897
• Category: Other Products
• Molecular Weight: 162.23
• Molecular Formula: C₁₁H₁₄O
• Synonyms: 2-Toloylacetone
• IUPAC Name: 1-(2,5-Dimethylphenyl)propan-2-one
• Canonical SMILES: CC1=CC(=C(C=C1)C)CC(=O)C
• InChI: InChI=1S/C11H14O/c1-8-4-5-9(2)11(6-8)7-10(3)12/h4-6H,7H2,1-3H3
• InChI Key: XHEUPKZIPXSSLU-UHFFFAOYSA-N
• Boiling Point: 244.5ºC at 760mmHg
• Flash Point: 104.7ºC
• Density: 0.963g/cm³
• Exact Mass: 162.104465066
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Monoisotopic Mass: 162.104465066
• Safety Description: S24/25
• Topological Polar Surface Area: 17.1 Ų