1-Phenoxy-5,5-Dimethyl-3-(1H-1,2,4-Triazol-1-Yl)-4-Hexanol
[CAS# 80553-79-3]

Identification

• Name: 1-Phenoxy-5,5-Dimethyl-3-(1H-1,2,4-Triazol-1-Yl)-4-Hexanol
• Synonyms: 1H-1,2,4-Triazole-1-Ethanol, Alpha-(1,1-Dimethylethyl)-Beta-(2-Phenoxyethyl)-
• Molecular Formula: C₁₆H₂₃N₃O₂
• Molecular Weight: 289.38
• CAS Registry Number: 80553-79-3
• SMILES: C1=N[N](C=N1)C(C(O)C(C)(C)C)CCOC2=CC=CC=C2
• InChI: 1S/C16H23N3O2/c1-16(2,3)15(20)14(19-12-17-11-18-19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12,14-15,20H,9-10H2,1-3H3
• InChIKey: KECDDIBOVKGAEU-UHFFFAOYSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 469.876°C at 760 mmHg (Cal.)
• Flash point: 237.973°C (Cal.)