(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
[CAS# 1579-21-1]

Identification

• Name: (4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
• Synonyms: (4As,8Ar)-Decalin-2-One; (4As,8Ar)-2-Decalinone; (-)-Cis-2-Decalone
• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.24
• CAS Registry Number: 1579-21-1
• EINECS: 216-422-5
• SMILES: [C@@H]12CC(=O)CC[C@@H]1CCCC2
• InChI: 1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9+/m0/s1
• InChIKey: LGVJRKCQQHOWAU-DTWKUNHWSA-N

Properties

• Density: 0.983g/cm³ (Cal.)
• Boiling point: 255.006°C at 760 mmHg (Cal.)
• Flash point: 101.667°C (Cal.)

References

• (1): Kamata et al.. Efficient stereo- and regioselective hydroxylation of alkanes catalysed by a bulky polyoxometalate, Nature Chemistry, 2010