Methyl tetrahydroabietate
[CAS# 19941-28-7]

Identification

• Name: Methyl tetrahydroabietate
• Synonyms: Methyl 7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,7,8,8A,9,10,10A-Dodecahydrophenanthrene-1-Carboxylate; 7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,7,8,8A,9,10,10A-Dodecahydrophenanthrene-1-Carboxylic Acid Methyl Ester; 1-Phenanthrenecarboxylic Acid, Tetradecahydro-1,4A-Dimethyl-7-(1-Methylethyl)-, Methyl Ester, (1R,4Ar,4Bs,7R,8As,10Ar)-
• Molecular Formula: C₂₁H₃₆O₂
• Molecular Weight: 320.51
• CAS Registry Number: 19941-28-7 (3872-98-8)
• EINECS: 243-435-3
• SMILES: COC(C3(C2C(C1CCC(CC1CC2)C(C)C)(CCC3)C)C)=O
• InChI: 1S/C21H36O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h14-18H,6-13H2,1-5H3
• InChIKey: FJHHBOWEISXQJX-UHFFFAOYSA-N

Properties

• Density: 0.962g/cm³ (Cal.)
• Boiling point: 351.894°C at 760 mmHg (Cal.)
• Flash point: 179.87°C (Cal.)