3,6-Dimethyl-3-Phenylheptanoic Acid
[CAS# 101913-71-7]

Identification

• Name: 3,6-Dimethyl-3-Phenylheptanoic Acid
• Synonyms: 3,6-Dimethyl-3-Phenyl-Heptanoic Acid; 3,6-Dimethyl-3-Phenyl-Enanthic Acid; Heptanoic Acid, 3,6-Dimethyl-3-Phenyl-
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.34
• CAS Registry Number: 101913-71-7
• SMILES: C1=C(C(CC(=O)O)(C)CCC(C)C)C=CC=C1
• InChI: 1S/C15H22O2/c1-12(2)9-10-15(3,11-14(16)17)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,16,17)
• InChIKey: YIHLJIOCTULOLG-UHFFFAOYSA-N

Properties

• Density: 1.003g/cm³ (Cal.)
• Boiling point: 343.658°C at 760 mmHg (Cal.)
• Flash point: 240.641°C (Cal.)