(E)-1-[(1R,6R)-2,2,6-Trimethylcyclohexyl]But-2-En-1-One
[CAS# 39900-18-0]

Identification

• Name: (E)-1-[(1R,6R)-2,2,6-Trimethylcyclohexyl]But-2-En-1-One
• Synonyms: 1-(2,6,6-Trimethylcyclohexyl)-2-Buten-1-One; 2-Buten-1-One, 1-(2,2,6-Trimethylcyclohexyl)-; Dihydrodamascone
• Molecular Formula: C₁₃H₂₂O
• Molecular Weight: 194.32
• CAS Registry Number: 39900-18-0
• SMILES: [C@H]1(CCCC([C@@H]1C(=O)\C=C\C)(C)C)C
• InChI: 1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7,10,12H,6,8-9H2,1-4H3/b7-5+/t10-,12+/m1/s1
• InChIKey: DDDIVAXBYDCLRR-FLPUTOKSSA-N

Properties

• Density: 0.872g/cm³ (Cal.)
• Boiling point: 265.256°C at 760 mmHg (Cal.)
• Flash point: 104.258°C (Cal.)