4-Hydroxy-4-[(1Z)-4-Hydroxy-1-Buten-1-Yl]-3,5,5-Trimethyl-2-Cyclohexen-1-One
[CAS# 477904-47-5]

Identification

• Name: 4-Hydroxy-4-[(1Z)-4-Hydroxy-1-Buten-1-Yl]-3,5,5-Trimethyl-2-Cyclohexen-1-One
• Synonyms: (Z)-4-hydroxy-4-(4-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-2-enone
• Molecular Formula: C₁₃H₂₀O₃
• Molecular Weight: 224.30
• CAS Registry Number: 477904-47-5
• SMILES: CC1=CC(=O)CC(C1(/C=C\CCO)O)(C)C
• InChI: 1S/C13H20O3/c1-10-8-11(15)9-12(2,3)13(10,16)6-4-5-7-14/h4,6,8,14,16H,5,7,9H2,1-3H3/b6-4-
• InChIKey: MNMWNVRFOWCPHF-XQRVVYSFSA-N

Properties

• Density: 1.133g/cm³ (Cal.)
• Boiling point: 373.059°C at 760 mmHg (Cal.)
• Flash point: 193.599°C (Cal.)
• Refractive index: 1.569 (Cal.)