1,2-Benzenedicarboxylic acid, mono(2-ethyl-5-hydroxyhexyl) ester
[CAS# 40321-99-1]

Identification

• Name: 1,2-Benzenedicarboxylic acid, mono(2-ethyl-5-hydroxyhexyl) ester
• Synonyms: 2-(2-Ethyl-5-Hydroxy-Hexoxy)Carbonylbenzoic Acid; 2-[(2-Ethyl-5-Hydroxyhexoxy)-Oxomethyl]Benzoic Acid; Mono(2-Ethyl-5-Hydroxyhexyl) 1,2-Benzenedicarboxylate
• Molecular Formula: C₁₆H₂₂O₅
• Molecular Weight: 294.35
• CAS Registry Number: 40321-99-1
• SMILES: C1=C(C(=CC=C1)C(=O)OCC(CCC(C)O)CC)C(=O)O
• InChI: 1S/C16H22O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,11-12,17H,3,8-10H2,1-2H3,(H,18,19)
• InChIKey: RYPQSGURZSTFSX-UHFFFAOYSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 463.704°C at 760 mmHg (Cal.)
• Flash point: 166.578°C (Cal.)