(3aR,6aS)-5-Acetyl-4-Ethyl-3A-Hydroxy-3,3A,6,6A-Tetrahydro-1(2H)-Pentalenone
[CAS# 419534-10-4]

Identification

• Name: (3aR,6aS)-5-Acetyl-4-Ethyl-3A-Hydroxy-3,3A,6,6A-Tetrahydro-1(2H)-Pentalenone
• Synonyms: (3aR,6aS)-5-acetyl-4-ethyl-3a-hydroxy-3,3a,6,6a-tetrahydropentalen-1(2H)-one
• Molecular Formula: C₁₂H₁₆O₃
• Molecular Weight: 208.25
• CAS Registry Number: 419534-10-4
• SMILES: CCC1=C(C[C@H]2[C@@]1(CCC2=O)O)C(=O)C
• InChI: 1S/C12H16O3/c1-3-9-8(7(2)13)6-10-11(14)4-5-12(9,10)15/h10,15H,3-6H2,1-2H3/t10-,12+/m1/s1
• InChIKey: CUZRRWLLGWHKAH-PWSUYJOCSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 381.4±42.0°C at 760 mmHg (Cal.)
• Flash point: 198.6±24.4°C (Cal.)
• Refractive index: 1.559 (Cal.)