(1E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-hepten-6-yn-3-one
[CAS# 791627-32-2]

Identification

• Name: (1E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-hepten-6-yn-3-one
• Synonyms: (E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)hept-1-en-6-yn-3-one
• Molecular Formula: C₁₆H₂₂O
• Molecular Weight: 230.35
• CAS Registry Number: 791627-32-2
• SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=O)CCC#C
• InChI: 1S/C16H22O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h1,10-11H,6-9,12H2,2-4H3/b11-10+
• InChIKey: PKSNEYJPKKXJRZ-ZHACJKMWSA-N

Properties

• Density: 0.972g/cm³ (Cal.)
• Boiling point: 338.444°C at 760 mmHg (Cal.)
• Flash point: 142.152°C (Cal.)
• Refractive index: 1.532 (Cal.)