2-[(2S,4aS,8S,8aR)-8,8a-Dimethyl-4-Oxo-1,2,3,4a,5,6,7,8-Octahydronaphthalen-2-Yl]Prop-2-Enoic Acid
[CAS# 33596-80-4]

Identification

• Name: 2-[(2S,4aS,8S,8aR)-8,8a-Dimethyl-4-Oxo-1,2,3,4a,5,6,7,8-Octahydronaphthalen-2-Yl]Prop-2-Enoic Acid
• Synonyms: 2-[(2S,4As,8S,8Ar)-8,8A-Dimethyl-4-Oxo-Decalin-2-Yl]Prop-2-Enoic Acid; 2-[(2S,4As,8S,8Ar)-8,8A-Dimethyl-4-Oxo-2-Decalinyl]Prop-2-Enoic Acid; 2-[(2S,4As,8S,8Ar)-4-Keto-8,8A-Dimethyl-Decalin-2-Yl]Acrylic Acid
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.34
• CAS Registry Number: 33596-80-4
• SMILES: [C@@]12(C[C@H](C(C(=O)O)=C)CC([C@H]1CCC[C@@H]2C)=O)C
• InChI: 1S/C15H22O3/c1-9-5-4-6-12-13(16)7-11(8-15(9,12)3)10(2)14(17)18/h9,11-12H,2,4-8H2,1,3H3,(H,17,18)/t9-,11+,12+,15+/m0/s1
• InChIKey: JCJJVXVYFHWGRJ-AYIJCJCZSA-N

Properties

• Density: 1.089g/cm³ (Cal.)
• Boiling point: 408.137°C at 760 mmHg (Cal.)
• Flash point: 214.79°C (Cal.)