3,5,5-Trimethyl-1-Hexanol Propanoate
[CAS# 68039-36-1]

Identification

• Name: 3,5,5-Trimethyl-1-Hexanol Propanoate
• Synonyms: Propanoic Acid 3,5,5-Trimethylhexyl Ester; Propionic Acid 3,5,5-Trimethylhexyl Ester; 1-Hexanol, 3,5,5-Trimethyl-, Propanoate
• Molecular Formula: C₁₂H₂₄O₂
• Molecular Weight: 200.32
• CAS Registry Number: 68039-36-1
• SMILES: C(OC(=O)CC)CC(C)CC(C)(C)C
• InChI: 1S/C12H24O2/c1-6-11(13)14-8-7-10(2)9-12(3,4)5/h10H,6-9H2,1-5H3
• InChIKey: FJTRXKOPFZBNTF-UHFFFAOYSA-N

Properties

• Density: 0.869g/cm³ (Cal.)
• Boiling point: 211.754°C at 760 mmHg (Cal.)
• Flash point: 83.559°C (Cal.)