m-Toluylic Acid, Heptyl Ester
[CAS# 5462-02-2]

Identification

• Name: m-Toluylic Acid, Heptyl Ester
• Synonyms: 3-Methylbenzoic Acid Heptyl Ester; M-Toluic Acid, Heptyl Ester; Nsc17944
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.34
• CAS Registry Number: 5462-02-2
• SMILES: C1=C(C)C=C(C(=O)OCCCCCCC)C=C1
• InChI: 1S/C15H22O2/c1-3-4-5-6-7-11-17-15(16)14-10-8-9-13(2)12-14/h8-10,12H,3-7,11H2,1-2H3
• InChIKey: FTXBEVYVDATLGN-UHFFFAOYSA-N

Properties

• Density: 0.966g/cm³ (Cal.)
• Boiling point: 322.124°C at 760 mmHg (Cal.)
• Flash point: 144.002°C (Cal.)