[(3R,6R)-3,6-Dimethyloctan-3-Yl] Butanoate
[CAS# 72845-80-8]

Identification

• Name: [(3R,6R)-3,6-Dimethyloctan-3-Yl] Butanoate
• Synonyms: [(1R,4R)-1-Ethyl-1,4-Dimethyl-Hexyl] Butanoate; Butanoic Acid [(1R,4R)-1-Ethyl-1,4-Dimethylhexyl] Ester; Butyric Acid [(1R,4R)-1-Ethyl-1,4-Dimethyl-Hexyl] Ester
• Molecular Formula: C₁₄H₂₈O₂
• Molecular Weight: 228.37
• CAS Registry Number: 72845-80-8
• SMILES: [C@@](OC(=O)CCC)(CC[C@@H](CC)C)(CC)C
• InChI: 1S/C14H28O2/c1-6-9-13(15)16-14(5,8-3)11-10-12(4)7-2/h12H,6-11H2,1-5H3/t12-,14-/m1/s1
• InChIKey: SATZGCHQVUBWGY-TZMCWYRMSA-N

Properties

• Density: 0.867g/cm³ (Cal.)
• Boiling point: 246.712°C at 760 mmHg (Cal.)
• Flash point: 106.249°C (Cal.)