[1S-(1alpha,4alpha,7alpha)]-1,2,3,4,5,6,7,8-Octahydro-1,4,9,9-Tetramethyl-4,7-Methanoazulene
[CAS# 514-51-2]

Identification

• Name: [1S-(1alpha,4alpha,7alpha)]-1,2,3,4,5,6,7,8-Octahydro-1,4,9,9-Tetramethyl-4,7-Methanoazulene
• Synonyms: 4,7-Methanoazulene, 1,2,3,4,5,6,7,8-Octahydro-1,4,9,9-Tetramethyl-, [1S-(1.Alpha.,4.Alpha.,7.Alpha.)]-; Patchoulene; (1S-(1Alpha,4Alpha,7Alpha))-1,2,3,4,5,6,7,8-Octahydro-1,4,9,9-Tetramethyl-4,7-Methanoazulene
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35
• CAS Registry Number: 514-51-2
• EINECS: 208-182-5
• SMILES: CC13C(C(CC2=C1CCC2C)CC3)(C)C
• InChI: 1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3
• InChIKey: CSKINCSXMLCMAR-UHFFFAOYSA-N

Properties

• Density: 0.951g/cm³ (Cal.)
• Boiling point: 260.698°C at 760 mmHg (Cal.)
• Flash point: 99.735°C (Cal.)