2-[2-oxo-2-(3,3,5-trimethylcyclohexoxy)ethyl]icos-4-enoate
[CAS# 94247-59-3]

Identification

• Name: 2-[2-oxo-2-(3,3,5-trimethylcyclohexoxy)ethyl]icos-4-enoate
• Synonyms: 4-(3,3,5-trimethylcyclohexyl) hydrogen 2-octadecenylsuccinate
• Molecular Formula: C₃₁H₅₅O₄
• Molecular Weight: 491.77
• CAS Registry Number: 94247-59-3
• EINECS: 304-227-9
• SMILES: O=C(OC1CC(C)CC(C)(C)C1)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O
• InChI: 1S/C31H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30(33)34)23-29(32)35-28-22-26(2)24-31(3,4)25-28/h19-20,26-28H,5-18,21-25H2,1-4H3,(H,33,34)/p-1
• InChIKey: FCTHZVMNDWBLEO-UHFFFAOYSA-M

Properties

• Boiling point: 585.795°C at 760 mmHg (Cal.)
• Flash point: 173.786°C (Cal.)