1,3-Butanediol-1-Monooctanoate
[CAS# 43201-95-2]

Identification

• Name: 1,3-Butanediol-1-Monooctanoate
• Synonyms: Octanoic Acid 3-Hydroxybutyl Ester; Caprylic Acid 3-Hydroxybutyl Ester; 1,3-Butanediol Monooctanoate
• Molecular Formula: C₁₂H₂₄O₃
• Molecular Weight: 216.32
• CAS Registry Number: 43201-95-2
• SMILES: C(CC(C)O)OC(CCCCCCC)=O
• InChI: 1S/C12H24O3/c1-3-4-5-6-7-8-12(14)15-10-9-11(2)13/h11,13H,3-10H2,1-2H3
• InChIKey: WLHXECFTKMDOJD-UHFFFAOYSA-N

Properties

• Density: 0.949g/cm³ (Cal.)
• Boiling point: 268.339°C at 760 mmHg (Cal.)
• Flash point: 96.446°C (Cal.)