3,7-Dimethyloctanoic Acid
[CAS# 5698-27-1]

Identification

• Name: 3,7-Dimethyloctanoic Acid
• Synonyms: 3,7-Dimethylcaprylic Acid; Nsc67873; Octanoic Acid, 3,7-Dimethyl-
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.27
• CAS Registry Number: 5698-27-1
• EINECS: 227-175-8
• SMILES: C(C(O)=O)C(CCCC(C)C)C
• InChI: 1S/C10H20O2/c1-8(2)5-4-6-9(3)7-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
• InChIKey: DGGBNSXAFVNQJU-UHFFFAOYSA-N

Properties

• Density: 0.912g/cm³ (Cal.)
• Boiling point: 268.113°C at 760 mmHg (Cal.)
• Flash point: 123.225°C (Cal.)