3-Hydroxy-4,4-Dimethyl-3-[(2E)-4-Oxo-2-Penten-2-Yl]Cycloheptanone
[CAS# 125257-74-1]

Identification

• Name: 3-Hydroxy-4,4-Dimethyl-3-[(2E)-4-Oxo-2-Penten-2-Yl]Cycloheptanone
• Synonyms: 3-Hydroxy-4,4-dimethyl-3-[(1E)-1-methyl-3-oxo-1-butenyl]cycloheptanone #
• Molecular Formula: C₁₄H₂₂O₃
• Molecular Weight: 238.32
• CAS Registry Number: 125257-74-1
• SMILES: O=C(\C=C(\C1(O)CC(=O)CCCC1(C)C)C)C
• InChI: 1S/C14H22O3/c1-10(8-11(2)15)14(17)9-12(16)6-5-7-13(14,3)4/h8,17H,5-7,9H2,1-4H3/b10-8+
• InChIKey: BUHWWICPKIKVBG-CSKARUKUSA-N

Properties

• Density: 1.042g/cm³ (Cal.)
• Boiling point: 377.298°C at 760 mmHg (Cal.)
• Flash point: 196.16°C (Cal.)
• Refractive index: 1.491 (Cal.)