3-Oxo-1,3-Dihydro-5-Isobenzofurancarboxylic Acid Nonyl Ester
[CAS# 54699-44-4]

Identification

• Name: 3-Oxo-1,3-Dihydro-5-Isobenzofurancarboxylic Acid Nonyl Ester
• Synonyms: Nonyl 3-Oxo-1H-Isobenzofuran-5-Carboxylate; 3-Oxo-1H-Isobenzofuran-5-Carboxylic Acid Nonyl Ester; 3-Keto-1H-Isobenzofuran-5-Carboxylic Acid Nonyl Ester
• Molecular Formula: C₁₈H₂₄O₄
• Molecular Weight: 304.39
• CAS Registry Number: 54699-44-4
• SMILES: C1=C(C=CC2=C1C(OC2)=O)C(OCCCCCCCCC)=O
• InChI: 1S/C18H24O4/c1-2-3-4-5-6-7-8-11-21-17(19)14-9-10-15-13-22-18(20)16(15)12-14/h9-10,12H,2-8,11,13H2,1H3
• InChIKey: XJAXUZMCYRLFLG-UHFFFAOYSA-N

Properties

• Density: 1.103g/cm³ (Cal.)
• Boiling point: 469.854°C at 760 mmHg (Cal.)
• Flash point: 236.954°C (Cal.)