3-Phenylpropyl 3-Methylbenzoate
[CAS# 5462-05-5]

Identification

• Name: 3-Phenylpropyl 3-Methylbenzoate
• Synonyms: 3-Methylbenzoic Acid 3-Phenylpropyl Ester; M-Toluic Acid, 3-Phenylpropyl Ester; Nsc17949
• Molecular Formula: C₁₇H₁₈O₂
• Molecular Weight: 254.33
• CAS Registry Number: 5462-05-5
• SMILES: C1=CC=CC=C1CCCOC(C2=CC(=CC=C2)C)=O
• InChI: 1S/C17H18O2/c1-14-7-5-11-16(13-14)17(18)19-12-6-10-15-8-3-2-4-9-15/h2-5,7-9,11,13H,6,10,12H2,1H3
• InChIKey: XOWCWLVJFBZFFJ-UHFFFAOYSA-N

Properties

• Density: 1.072g/cm³ (Cal.)
• Boiling point: 387.269°C at 760 mmHg (Cal.)
• Flash point: 168.488°C (Cal.)