(+/-)-Mono-2-Octyl Phthalate
[CAS# 21395-09-5]

Identification

• Name: (+/-)-Mono-2-Octyl Phthalate
• Synonyms: 2-(1-Methylheptoxycarbonyl)Benzoic Acid; 2-(1-Methylheptoxy-Oxomethyl)Benzoic Acid; (1)-2-Octyl Hydrogen Phthalate
• Molecular Formula: C₁₆H₂₂O₄
• Molecular Weight: 278.35
• CAS Registry Number: 21395-09-5
• SMILES: C1=CC=CC(=C1C(OC(CCCCCC)C)=O)C(O)=O
• InChI: 1S/C16H22O4/c1-3-4-5-6-9-12(2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)
• InChIKey: DUJBEEUYBSLMGM-UHFFFAOYSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 408.89°C at 760 mmHg (Cal.)
• Flash point: 144.085°C (Cal.)