Avarone
[CAS# 55303-99-6]

Identification

• Name: Avarone
• Synonyms: 2-[[(1R,2S,4As,8As)-1,2,4A,5-Tetramethyl-2,3,4,7,8,8A-Hexahydronaphthalen-1-Yl]Methyl]-1,4-Benzoquinone; 2-[[(1R,2S,4As,8As)-1,2,4A,5-Tetramethyl-2,3,4,7,8,8A-Hexahydronaphthalen-1-Yl]Methyl]-P-Benzoquinone; 2,5-Cyclohexadiene-1,4-Dione, 2-((1,2,3,4,4A,7,8,8A-Octahydro-1,2,4A,5-Tetramethyl-1-Naphthalenyl)Methyl)-, (1R-(1-Alpha,2-Beta,4A-Beta,8A-Alpha))-
• Molecular Formula: C₂₁H₂₈O₂
• Molecular Weight: 312.45
• CAS Registry Number: 55303-99-6
• SMILES: [C@]2([C@H]1[C@](C(=CCC1)C)(C)CC[C@@H]2C)(CC3=CC(C=CC3=O)=O)C
• InChI: 1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1
• InChIKey: VPRHEJGLNUDEEH-LWILDLIXSA-N

Properties

• Density: 1.04g/cm³ (Cal.)
• Boiling point: 402.862°C at 760 mmHg (Cal.)
• Flash point: 150.876°C (Cal.)