(3aS,4S,5R,6aR)-5-Ethoxy-4-Ethyl-3A-Methylhexahydro-1(2H)-Pentalenone
[CAS# 148694-09-1]

Identification

• Name: (3aS,4S,5R,6aR)-5-Ethoxy-4-Ethyl-3A-Methylhexahydro-1(2H)-Pentalenone
• Synonyms: (3aS,4S,5R,6aR)-5-ethoxy-4-ethyl-3a-methylhexahydropentalen-1(2H)-one
• Molecular Formula: C₁₃H₂₂O₂
• Molecular Weight: 210.31
• CAS Registry Number: 148694-09-1
• SMILES: CC[C@@H]1[C@@H](C[C@@H]2[C@]1(CCC2=O)C)OCC
• InChI: 1S/C13H22O2/c1-4-9-12(15-5-2)8-10-11(14)6-7-13(9,10)3/h9-10,12H,4-8H2,1-3H3/t9-,10+,12-,13+/m1/s1
• InChIKey: MBZVVDSMNBYMGW-DNIRFERGSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 282.2±23.0°C at 760 mmHg (Cal.)
• Flash point: 107.0±16.2°C (Cal.)
• Refractive index: 1.479 (Cal.)