2-Heptyl-1,4-Butanediol
[CAS# 100536-95-6]

Identification

• Name: 2-Heptyl-1,4-Butanediol
• Synonyms: 1,4-Butanediol, 2-heptyl-; 2-Heptyl-1,4-butandiol; 2-Heptyl-1,4-butanediol
• Molecular Formula: C₁₁H₂₄O₂
• Molecular Weight: 188.31
• CAS Registry Number: 100536-95-6
• SMILES: CCCCCCCC(CCO)CO
• InChI: 1S/C11H24O2/c1-2-3-4-5-6-7-11(10-13)8-9-12/h11-13H,2-10H2,1H3
• InChIKey: UWIHDVYPIGJDKC-UHFFFAOYSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 292.3±8.0°C at 760 mmHg (Cal.)
• Flash point: 130.2±13.0°C (Cal.)
• Refractive index: 1.458 (Cal.)