1-(5-Isopropyl-2-Methyl-2-Cyclohexen-1-Yl)-2-Buten-1-One
[CAS# 39899-98-4]

Identification

• Name: 1-(5-Isopropyl-2-Methyl-2-Cyclohexen-1-Yl)-2-Buten-1-One
• Synonyms: [1S-[1α(E),5β]]-1-[5-isopropyl-2-methyl-2-cyclohexen-1-yl]-2-buten-1-one
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.32
• CAS Registry Number: 39899-98-4
• EINECS: 254-690-5
• SMILES: CC1=CCC(CC1C(=O)C=CC)C(C)C
• InChI: 1S/C14H22O/c1-5-6-14(15)13-9-12(10(2)3)8-7-11(13)4/h5-7,10,12-13H,8-9H2,1-4H3
• InChIKey: NDIIRIBTDFAWIS-UHFFFAOYSA-N

Properties

• Density: 0.906g/cm³ (Cal.)
• Boiling point: 290.799°C at 760 mmHg (Cal.)
• Flash point: 117.823°C (Cal.)