1,4-Benzenedicarboxylic Acid Hydrogen 1-Butyl Ester
[CAS# 1818-06-0]

Identification

• Name: 1,4-Benzenedicarboxylic Acid Hydrogen 1-Butyl Ester
• Synonyms: 4-(Butoxy-Oxomethyl)Benzoic Acid; 1,4-Benzenedicarboxylic Acid, Monobutyl Ester
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• CAS Registry Number: 1818-06-0
• SMILES: C1=C(C=CC(=C1)C(=O)OCCCC)C(=O)O
• InChI: 1S/C12H14O4/c1-2-3-8-16-12(15)10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
• InChIKey: QLUQHFODHZKSDT-UHFFFAOYSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 365.576°C at 760 mmHg (Cal.)
• Flash point: 139.158°C (Cal.)