(1alpha,2beta,5beta)-4,5-Dimethyl-2-(2-Methylpropen-1-Yl)Cyclohex-3-Ene-1-Carbaldehyde
[CAS# 42507-55-1]

Identification

• Name: (1alpha,2beta,5beta)-4,5-Dimethyl-2-(2-Methylpropen-1-Yl)Cyclohex-3-Ene-1-Carbaldehyde
• Synonyms: (1R,2R,5R)-4,5-Dimethyl-2-(2-Methylprop-1-Enyl)-1-Cyclohex-3-Enecarboxaldehyde; (1Alpha,2Beta,5Beta)-4,5-Dimethyl-2-(2-Methylpropen-1-Yl)Cyclohex-3-Ene-1-Carbaldehyde; 3-Cyclohexene-1-Carboxaldehyde, 4,5-Dimethyl-2-(2-Methyl-1-Propenyl)-, (1R,2R,5R)-Rel-
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.30
• CAS Registry Number: 42507-55-1
• EINECS: 255-858-0
• SMILES: [C@@H]1([C@@H](C[C@H](C(=C1)C)C)C=O)C=C(C)C
• InChI: 1S/C13H20O/c1-9(2)5-12-6-10(3)11(4)7-13(12)8-14/h5-6,8,11-13H,7H2,1-4H3/t11-,12-,13+/m1/s1
• InChIKey: DBKJZSIBBKOBCN-UPJWGTAASA-N

Properties

• Density: 0.979g/cm³ (Cal.)
• Boiling point: 258.897°C at 760 mmHg (Cal.)
• Flash point: 90.147°C (Cal.)