(3S,3aS,6R)-2,3,4,5,6,7-Hexahydro-7,7,8-trimethyl-1H-3a,6-Methanoazulene-3-carboxylicacid
[CAS# 16202-79-2]

Identification

• Name: (3S,3aS,6R)-2,3,4,5,6,7-Hexahydro-7,7,8-trimethyl-1H-3a,6-Methanoazulene-3-carboxylicacid
• Synonyms: 1H-3A.Alpha.,6-Methanoazulene-3-Carboxylic Acid, 2,3.Beta.,4,5,6.Beta.,7-Hexahydro-7,7,8-Trimethyl-; 1H-3A,6-Methanoazulene-3-Carboxylic Acid, 2,3,4,5,6,7-Hexahydro-7,7,8-Trimethyl-, [3S-(3.Alpha.,3A.Alpha.,6.Alpha.)]-
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.34
• CAS Registry Number: 16202-79-2
• SMILES: CC2=C1C3(C(C(=O)O)CC1)CC(C2(C)C)CC3
• InChI: 1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10,12H,4-8H2,1-3H3,(H,16,17)
• InChIKey: DHPMFKAJSXGYDJ-UHFFFAOYSA-N

Properties

• Density: 1.12g/cm³ (Cal.)
• Boiling point: 363.624°C at 760 mmHg (Cal.)
• Flash point: 172.235°C (Cal.)