(3E)-4-(1-Hydroperoxy-2,2-Dimethyl-6-Methylenecyclohexyl)-3-Penten-2-One
[CAS# 125284-20-0]

Identification

• Name: (3E)-4-(1-Hydroperoxy-2,2-Dimethyl-6-Methylenecyclohexyl)-3-Penten-2-One
• Synonyms: (3E)-4-(1-Hydroperoxy-2,2-dimethyl-6-methylenecyclohexyl)-3-penten-2-one #; 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one
• Molecular Formula: C₁₄H₂₂O₃
• Molecular Weight: 238.32
• CAS Registry Number: 125284-20-0
• SMILES: O=C(\C=C(\C1(OO)\C(=C)CCCC1(C)C)C)C
• InChI: 1S/C14H22O3/c1-10-7-6-8-13(4,5)14(10,17-16)11(2)9-12(3)15/h9,16H,1,6-8H2,2-5H3/b11-9+
• InChIKey: ABKYIBLLJAHNQO-PKNBQFBNSA-N

Properties

• Density: 1.032g/cm³ (Cal.)
• Boiling point: 353.68°C at 760 mmHg (Cal.)
• Flash point: 125.372°C (Cal.)
• Refractive index: 1.496 (Cal.)