2,2-Dimethylcaprylic acid benzyl ester
[CAS# 81325-79-3]

Identification

• Name: 2,2-Dimethylcaprylic acid benzyl ester
• Synonyms: 2,2-Dimethyloctanoic Acid Phenylmethyl Ester; 2,2-Dimethylcaprylic Acid Benzyl Ester; Bdot
• Molecular Formula: C₁₇H₂₆O₂
• Molecular Weight: 262.39
• CAS Registry Number: 81325-79-3
• SMILES: C1=CC=CC=C1COC(=O)C(CCCCCC)(C)C
• InChI: 1S/C17H26O2/c1-4-5-6-10-13-17(2,3)16(18)19-14-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3
• InChIKey: ZGWYSKCFFPGGPS-UHFFFAOYSA-N

Properties

• Density: 0.956g/cm³ (Cal.)
• Boiling point: 335.391°C at 760 mmHg (Cal.)
• Flash point: 103.471°C (Cal.)