3-(1,5-Dimethylhexyl)-2,3,3a,4,5,5a,6,9,10,11,11a,11b-Dodecahydro-3a,6-Dimethyl-9,11-Dioxo-6,10-Methano-1H-Cyclooct(E)Indene-7-Carboxylic Acid
[CAS# 32174-69-9]

Identification

• Name: 3-(1,5-Dimethylhexyl)-2,3,3a,4,5,5a,6,9,10,11,11a,11b-Dodecahydro-3a,6-Dimethyl-9,11-Dioxo-6,10-Methano-1H-Cyclooct(E)Indene-7-Carboxylic Acid
• Synonyms: Brn 3177998; Nsc81762; 4-10-00-03174 (Beilstein Handbook Reference)
• Molecular Formula: C₂₇H₄₀O₄
• Molecular Weight: 428.61
• CAS Registry Number: 32174-69-9
• SMILES: C(C(C4C3(C(C1C(C2(C(=CC(=O)C(C1=O)C2)C(=O)O)C)CC3)CC4)C)C)CCC(C)C
• InChI: 1S/C27H40O4/c1-15(2)7-6-8-16(3)18-9-10-19-23-20(11-12-26(18,19)4)27(5)14-17(24(23)29)22(28)13-21(27)25(30)31/h13,15-20,23H,6-12,14H2,1-5H3,(H,30,31)
• InChIKey: CPOBSJFACVUGSW-UHFFFAOYSA-N

Properties

• Density: 1.105g/cm³ (Cal.)
• Boiling point: 549.878°C at 760 mmHg (Cal.)
• Flash point: 300.417°C (Cal.)