12-Chlorodehydroabietic Acid
[CAS# 65310-45-4]

Identification

• Name: 12-Chlorodehydroabietic Acid
• Synonyms: (1R,4As,10Ar)-6-Chloro-7-Isopropyl-1,4A-Dimethyl-2,3,4,9,10,10A-Hexahydrophenanthrene-1-Carboxylic Acid; 1-Phenanthrenecarboxylic Acid, 6-Chloro-1,2,3,4,4A,9,10,10A-Octahydro-1,4A-Dimethyl-7-(1-Methylethyl)-, (1R,4As,10Ar)-; 1-Phenanthrenecarboxylic Acid, 6-Chloro-1,2,3,4,4A,9,10,10A-Octahydro-1,4A-Dimethyl-7-(1-Methylethyl)-, (1R-(1Alpha,4Abeta,10Aalpha))-
• Molecular Formula: C₂₀H₂₇ClO₂
• Molecular Weight: 334.89
• CAS Registry Number: 65310-45-4
• SMILES: [C@]1(CCC[C@]2([C@H]1CCC3=C2C=C(C(=C3)C(C)C)Cl)C)(C)C(O)=O
• InChI: 1S/C20H27ClO2/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1
• InChIKey: LRHCLIUTYPHWLV-MISYRCLQSA-N

Properties

• Density: 1.133g/cm³ (Cal.)
• Boiling point: 445.358°C at 760 mmHg (Cal.)
• Flash point: 223.145°C (Cal.)