3-Hydroxy-2,2-Dimethylhexyl Butyrate
[CAS# 85508-25-4]

Identification

• Name: 3-Hydroxy-2,2-Dimethylhexyl Butyrate
• Synonyms: (3-Hydroxy-2,2-Dimethyl-Hexyl) Butanoate; Butanoic Acid (3-Hydroxy-2,2-Dimethylhexyl) Ester; Butyric Acid (3-Hydroxy-2,2-Dimethyl-Hexyl) Ester
• Molecular Formula: C₁₂H₂₄O₃
• Molecular Weight: 216.32
• CAS Registry Number: 85508-25-4
• EINECS: 287-450-3
• SMILES: C(C(O)C(COC(=O)CCC)(C)C)CC
• InChI: 1S/C12H24O3/c1-5-7-10(13)12(3,4)9-15-11(14)8-6-2/h10,13H,5-9H2,1-4H3
• InChIKey: MILAEHMPRCLZIF-UHFFFAOYSA-N

Properties

• Density: 0.949g/cm³ (Cal.)
• Boiling point: 258.552°C at 760 mmHg (Cal.)
• Flash point: 90.744°C (Cal.)