2,4-Pentadiyn-1-yl 3,5-dihydroxybenzoate
[CAS# 623176-87-4]

Identification

• Name: 2,4-Pentadiyn-1-yl 3,5-dihydroxybenzoate
• Synonyms: BENZOIC ACID, 3,5-DIHYDROXY-, 2,4-PENTADIYNYL ESTER (9CI); penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate
• Molecular Formula: C₁₂H₈O₄
• Molecular Weight: 216.19
• CAS Registry Number: 623176-87-4
• SMILES: O=C(OCC#CC#C)c1cc(O)cc(O)c1
• InChI: 1S/C12H8O4/c1-2-3-4-5-16-12(15)9-6-10(13)8-11(14)7-9/h1,6-8,13-14H,5H2
• InChIKey: ZHTOYNUOEQRFJI-UHFFFAOYSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 461.339°C at 760 mmHg (Cal.)
• Flash point: 185.317°C (Cal.)
• Refractive index: 1.632 (Cal.)