3,5-Dihydroxy-4,4-Dimethyl-2-Pentanoyl-2,5-Cyclohexadien-1-One
[CAS# 19051-49-1]

Identification

• Name: 3,5-Dihydroxy-4,4-Dimethyl-2-Pentanoyl-2,5-Cyclohexadien-1-One
• Synonyms: 3,5-Dihydroxy-4,4-dimethyl-2-pentanoyl-2,5-cyclohexadien-1-one #; Valerylfilicinic acid
• Molecular Formula: C₁₃H₁₈O₄
• Molecular Weight: 238.28
• CAS Registry Number: 19051-49-1
• SMILES: O=C(CCCC)/C1=C(\O)C(C)(C)C(\O)=C/C1=O
• InChI: 1S/C13H18O4/c1-4-5-6-8(14)11-9(15)7-10(16)13(2,3)12(11)17/h7,16-17H,4-6H2,1-3H3
• InChIKey: PJQMJSYIUUHNBS-UHFFFAOYSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 405.774°C at 760 mmHg (Cal.)
• Flash point: 213.363°C (Cal.)
• Refractive index: (Cal.)