4-Hydroxy-4-(4-Hydroxy-1-Butyn-1-Yl)-3,5,5-Trimethyl-2-Cyclohexen-1-One
[CAS# 477904-46-4]

Identification

• Name: 4-Hydroxy-4-(4-Hydroxy-1-Butyn-1-Yl)-3,5,5-Trimethyl-2-Cyclohexen-1-One
• Synonyms: 4-hydroxy-4-(4-hydroxybut-1-yn-1-yl)-3,5,5-trimethylcyclohex-2-enone
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.28
• CAS Registry Number: 477904-46-4
• SMILES: CC1=CC(=O)CC(C1(C#CCCO)O)(C)C
• InChI: 1S/C13H18O3/c1-10-8-11(15)9-12(2,3)13(10,16)6-4-5-7-14/h8,14,16H,5,7,9H2,1-3H3
• InChIKey: BMHUJUMSAYDCNT-UHFFFAOYSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 403.239°C at 760 mmHg (Cal.)
• Flash point: 211.831°C (Cal.)
• Refractive index: 1.543 (Cal.)