(1R,3S,7S,8S,9S)-9-Hydroxy-8,9-dimethyl-4-oxatricyclo[5.2.1.0^3,8]decan-5-one
[CAS# 744208-27-3]

Identification

• Name: (1R,3S,7S,8S,9S)-9-Hydroxy-8,9-dimethyl-4-oxatricyclo[5.2.1.0^3,8]decan-5-one
• Synonyms: (4S,4aS,5S,6R,7aS)-5-hydroxy-4a,5-dimethylhexahydro-4,6-methanocyclopenta[b]pyran-2(3H)-one
• Molecular Formula: C₁₁H₁₆O₃
• Molecular Weight: 196.24
• CAS Registry Number: 744208-27-3
• SMILES: C[C@@]1([C@@H]2C[C@@H]3[C@]1([C@H](C2)OC(=O)C3)C)O
• InChI: 1S/C11H16O3/c1-10-6-3-7(11(10,2)13)4-8(10)14-9(12)5-6/h6-8,13H,3-5H2,1-2H3/t6-,7+,8-,10-,11-/m0/s1
• InChIKey: ODHLZYNPBSVMKM-IUKAMOBKSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 337.9±25.0°C at 760 mmHg (Cal.)
• Flash point: 147.4±15.9°C (Cal.)
• Refractive index: 1.551 (Cal.)