Octyl Hydrogen Phthalate
[CAS# 5393-19-1]

Identification

• Name: Octyl Hydrogen Phthalate
• Synonyms: 2-(Octoxy-Oxomethyl)Benzoic Acid; Octyl Hydrogen Phthalate; Phthalic Acid, Monooctyl Ester
• Molecular Formula: C₁₆H₂₂O₄
• Molecular Weight: 278.35
• CAS Registry Number: 5393-19-1
• EINECS: 226-398-8
• SMILES: C1=CC=CC(=C1C(=O)OCCCCCCCC)C(=O)O
• InChI: 1S/C16H22O4/c1-2-3-4-5-6-9-12-20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18)
• InChIKey: PKIYFBICNICNGJ-UHFFFAOYSA-N

Properties

• Density: 1.09g/cm³ (Cal.)
• Boiling point: 414.421°C at 760 mmHg (Cal.)
• Flash point: 146.54°C (Cal.)