3,3,5,5-Tetramethyl-8-(3-Methylbutyl)-3,5,6,7-Tetrahydro-S-Indacen-1(2H)-One
[CAS# 55712-64-6]

Identification

• Name: 3,3,5,5-Tetramethyl-8-(3-Methylbutyl)-3,5,6,7-Tetrahydro-S-Indacen-1(2H)-One
• Synonyms: 8-Isopentyl-3,3,5,5-tetramethyl-3,5,6,7-tetrahydro-S-indacen-1(2H)-one #
• Molecular Formula: C₂₁H₃₀O
• Molecular Weight: 298.46
• CAS Registry Number: 55712-64-6
• SMILES: O=C3c1c(cc2c(c1CCC(C)C)CCC2(C)C)C(C3)(C)C
• InChI: 1S/C21H30O/c1-13(2)7-8-15-14-9-10-20(3,4)16(14)11-17-19(15)18(22)12-21(17,5)6/h11,13H,7-10,12H2,1-6H3
• InChIKey: KENFCAKQHPCTTO-UHFFFAOYSA-N

Properties

• Density: 0.983g/cm³ (Cal.)
• Boiling point: 378.822°C at 760 mmHg (Cal.)
• Flash point: 158.583°C (Cal.)