3-Hydroxy-2,2-Dimethylhexyl Isobutyrate
[CAS# 85508-22-1]

Identification

• Name: 3-Hydroxy-2,2-Dimethylhexyl Isobutyrate
• Synonyms: (3-Hydroxy-2,2-Dimethyl-Hexyl) 2-Methylpropanoate; 2-Methylpropanoic Acid (3-Hydroxy-2,2-Dimethylhexyl) Ester; 2-Methylpropionic Acid (3-Hydroxy-2,2-Dimethyl-Hexyl) Ester
• Molecular Formula: C₁₂H₂₄O₃
• Molecular Weight: 216.32
• CAS Registry Number: 85508-22-1
• EINECS: 287-447-7
• SMILES: C(OC(=O)C(C)C)C(C(O)CCC)(C)C
• InChI: 1S/C12H24O3/c1-6-7-10(13)12(4,5)8-15-11(14)9(2)3/h9-10,13H,6-8H2,1-5H3
• InChIKey: SXOJZWDUTDGRBI-UHFFFAOYSA-N

Properties

• Density: 0.947g/cm³ (Cal.)
• Boiling point: 253.741°C at 760 mmHg (Cal.)
• Flash point: 87.923°C (Cal.)