(3R)-6,8a-Dimethyl-3-Propan-2-Yl-1,2,3,4,5,8-Hexahydroazulen-3a-Ol
[CAS# 465-28-1]

Identification

• Name: (3R)-6,8a-Dimethyl-3-Propan-2-Yl-1,2,3,4,5,8-Hexahydroazulen-3a-Ol
• Synonyms: (3R,3As,8Ar)-3-Isopropyl-6,8A-Dimethyl-1,2,3,4,5,8-Hexahydroazulen-3A-Ol; C09628
• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37
• CAS Registry Number: 465-28-1
• SMILES: [C@@]12([C@](CC[C@@H]1C(C)C)(CC=C(CC2)C)C)O
• InChI: 1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10H2,1-4H3/t13-,14+,15+/m1/s1
• InChIKey: XZYQCFABZDVOPN-ILXRZTDVSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 295.8±29.0°C at 760 mmHg (Cal.)
• Flash point: 126.1±16.5°C (Cal.)

References

• (1): Sridhar Soundharrajan Radhakrishanan, Rajagopal R. Velusamy, Rajavel Ramasamy, Masilamani Selladurai, Narasimhan Srinivasan. Antifungal Activity of Some Essential Oils, Journal of Agricultural and Food Chemistry, 2003