1,4alpha-Dimethyl-7-Propan-2-Yl-2,3,4,9,10,10alpha-Hexahydrophenanthrene-1-Carboxylic Acid
[CAS# 2501-27-1]

Identification

• Name: 1,4alpha-Dimethyl-7-Propan-2-Yl-2,3,4,9,10,10alpha-Hexahydrophenanthrene-1-Carboxylic Acid
• Synonyms: 7-Isopropyl-1,4A-Dimethyl-2,3,4,9,10,10A-Hexahydrophenanthrene-1-Carboxylic Acid; 1-Phenanthrenecarboxylic Acid, 1,2,3,4,4A,9,10,10A-Octahydro-1,4A-Dimethyl-7-(1-Methylethyl)-, [1S-(1.Alpha.,4A.Alpha.,10A.Beta.)]-; Oprea1_828433
• Molecular Formula: C₂₀H₂₈O₂
• Molecular Weight: 300.44
• CAS Registry Number: 2501-27-1
• SMILES: C3=C2C1(C(C(CCC1)(C(O)=O)C)CCC2=CC(=C3)C(C)C)C
• InChI: 1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)
• InChIKey: NFWKVWVWBFBAOV-UHFFFAOYSA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 425.085°C at 760 mmHg (Cal.)
• Flash point: 202.504°C (Cal.)