Methyl (3S-(3alpha,3aalpha,6alpha,8aalpha))-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate
[CAS# 18444-89-8]

Identification

• Name: Methyl (3S-(3alpha,3aalpha,6alpha,8aalpha))-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate
• Synonyms: 1H-3A,6-Methanoazulene-3-Carboxylic Acid, Octahydro-7,7-Dimethyl-8-Methylene-, Methyl Ester, (3S,3Ar,6R,8As)-; Methyl (3S-(3Alpha,3Aalpha,6Alpha,8Aalpha))-Octahydro-7,7-Dimethyl-8-Methylene-1H-3A,6-Methanoazulene-3-Carboxylate
• Molecular Formula: C₁₆H₂₄O₂
• Molecular Weight: 248.36
• CAS Registry Number: 18444-89-8 (26410-02-6)
• EINECS: 242-326-8
• SMILES: CC2(C1CCC3(C1)C(C2=C)CCC3C(=O)OC)C
• InChI: 1S/C16H24O2/c1-10-12-5-6-13(14(17)18-4)16(12)8-7-11(9-16)15(10,2)3/h11-13H,1,5-9H2,2-4H3
• InChIKey: DZVKVIGAEDEAIN-UHFFFAOYSA-N

Properties

• Density: 1.048g/cm³ (Cal.)
• Boiling point: 313.757°C at 760 mmHg (Cal.)
• Flash point: 136.408°C (Cal.)