(1R,3aS,4S,7aR)-1,3a,4,7a-Tetramethyl-1,2,3,3a,4,7a-hexahydro-5H-inden-5-one
[CAS# 627460-76-8]

Identification

• Name: (1R,3aS,4S,7aR)-1,3a,4,7a-Tetramethyl-1,2,3,3a,4,7a-hexahydro-5H-inden-5-one
• Synonyms: (1R,3aS,4S,7aR)-1,3a,4,7a-tetramethyl-2,3,3a,4-tetrahydro-1H-inden-5(7aH)-one
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.30
• CAS Registry Number: 627460-76-8
• SMILES: O=C1\C=C/[C@]2([C@@H](CC[C@]2([C@@H]1C)C)C)C
• InChI: 1S/C13H20O/c1-9-5-7-13(4)10(2)11(14)6-8-12(9,13)3/h6,8-10H,5,7H2,1-4H3/t9-,10-,12+,13+/m1/s1
• InChIKey: PYLDROHDKYSIIW-AAXDQBDMSA-N

Properties

• Density: 0.962g/cm³ (Cal.)
• Boiling point: 257.852°C at 760 mmHg (Cal.)
• Flash point: 118.978°C (Cal.)
• Refractive index: 1.491 (Cal.)