2-Hydroxy-3,6-Dimethyl-5-(3-Oxobutyl)-1,4-Benzoquinone
[CAS# 502182-46-9]

Identification

• Name: 2-Hydroxy-3,6-Dimethyl-5-(3-Oxobutyl)-1,4-Benzoquinone
• Synonyms: 2-hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-2,5-diene-1,4-dione
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• CAS Registry Number: 502182-46-9
• SMILES: CC1=C(C(=O)C(=C(C1=O)O)C)CCC(=O)C
• InChI: 1S/C12H14O4/c1-6(13)4-5-9-7(2)11(15)12(16)8(3)10(9)14/h16H,4-5H2,1-3H3
• InChIKey: LCORWLRTYZEIPC-UHFFFAOYSA-N

Properties

• Density: 1.217g/cm³ (Cal.)
• Boiling point: 365.281°C at 760 mmHg (Cal.)
• Flash point: 188.9°C (Cal.)
• Refractive index: 1.534 (Cal.)