1-(3,4-Dihydroxyphenyl)-4,4-Dimethyl-1-Penten-3-One
[CAS# 66596-39-2]

Identification

• Name: 1-(3,4-Dihydroxyphenyl)-4,4-Dimethyl-1-Penten-3-One
• Synonyms: (E)-1-(3,4-Dihydroxyphenyl)-4,4-Dimethyl-Pent-1-En-3-One; 4-(Tert-Butylcarbonylvinyl)Pyrocatechol; Brn 2262819
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.27
• CAS Registry Number: 66596-39-2
• SMILES: C1=C(O)C(=CC=C1\C=C\C(=O)C(C)(C)C)O
• InChI: 1S/C13H16O3/c1-13(2,3)12(16)7-5-9-4-6-10(14)11(15)8-9/h4-8,14-15H,1-3H3/b7-5+
• InChIKey: AESAELLIDNODSF-FNORWQNLSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 393.954°C at 760 mmHg (Cal.)
• Flash point: 206.222°C (Cal.)