Butyl Vanillate
[CAS# 5348-74-3]

Identification

• Name: Butyl Vanillate
• Synonyms: Butyl 4-Hydroxy-3-Methoxy-Benzoate; 4-Hydroxy-3-Methoxybenzoic Acid Butyl Ester; 4-Hydroxy-3-Methoxy-Benzoic Acid Butyl Ester
• Molecular Formula: C₁₂H₁₆O₄
• Molecular Weight: 224.26
• CAS Registry Number: 5348-74-3
• EINECS: 226-307-1
• SMILES: C1=C(C(=CC(=C1)C(OCCCC)=O)OC)O
• InChI: 1S/C12H16O4/c1-3-4-7-16-12(14)9-5-6-10(13)11(8-9)15-2/h5-6,8,13H,3-4,7H2,1-2H3
• InChIKey: TUOSEEPBHUCCAO-UHFFFAOYSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 342.956°C at 760 mmHg (Cal.)
• Flash point: 127.472°C (Cal.)