(1S,2R,3aR,8aS)-3a,6-Dimethyl-1-Propan-2-Yl-2,3,4,7,8,8a-Hexahydroazulene-1,2-Diol
[CAS# 105772-90-5]

Identification

• Name: (1S,2R,3aR,8aS)-3a,6-Dimethyl-1-Propan-2-Yl-2,3,4,7,8,8a-Hexahydroazulene-1,2-Diol
• Synonyms: (1S,2R,3Ar,8As)-1-Isopropyl-3A,6-Dimethyl-2,3,4,7,8,8A-Hexahydroazulene-1,2-Diol; 1,2,3,3A,4,7,8,8A-Octahydro-3A,6-Dimethyl-1-(1-Methylethyl)-1,2-Azulenediol (1Alpha,2Alpha,3Aalpha,8Abeta)-(-)-; 1,2-Azulenediol, 1,2,3,3A,4,7,8,8A-Octahydro-3A,6-Dimethyl-1-(1-Methylethyl)-, (1Alpha,2Alpha,3Aalpha,8Abeta)-(-)-
• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37
• CAS Registry Number: 105772-90-5
• SMILES: [C@@H]12[C@](O)([C@H](O)C[C@]1(CC=C(CC2)C)C)C(C)C
• InChI: 1S/C15H26O2/c1-10(2)15(17)12-6-5-11(3)7-8-14(12,4)9-13(15)16/h7,10,12-13,16-17H,5-6,8-9H2,1-4H3/t12-,13+,14+,15-/m0/s1
• InChIKey: WBVHJGBFCZGJRZ-YJNKXOJESA-N

Properties

• Density: 1.041g/cm³ (Cal.)
• Boiling point: 319.916°C at 760 mmHg (Cal.)
• Flash point: 139.939°C (Cal.)