Heptan-2-Yl Benzoate
[CAS# 6624-59-5]

Identification

• Name: Heptan-2-Yl Benzoate
• Synonyms: 1-Methylhexyl Benzoate; Benzoic Acid 1-Methylhexyl Ester; Nsc53806
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.31
• CAS Registry Number: 6624-59-5
• SMILES: C1=CC=CC=C1C(OC(C)CCCCC)=O
• InChI: 1S/C14H20O2/c1-3-4-6-9-12(2)16-14(15)13-10-7-5-8-11-13/h5,7-8,10-12H,3-4,6,9H2,1-2H3
• InChIKey: WMGISUKBJZWCDP-UHFFFAOYSA-N

Properties

• Density: 0.972g/cm³ (Cal.)
• Boiling point: 295.973°C at 760 mmHg (Cal.)
• Flash point: 124.712°C (Cal.)