2-(3-Hydroxybutyl)-3,5,6-trimethyl-1,4-benzoquinone
[CAS# 725227-95-2]

Identification

• Name: 2-(3-Hydroxybutyl)-3,5,6-trimethyl-1,4-benzoquinone
• Synonyms: 2-(3-hydroxybutyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.28
• CAS Registry Number: 725227-95-2
• SMILES: CC1=C(C(=O)C(=C(C1=O)C)CCC(C)O)C
• InChI: 1S/C13H18O3/c1-7(14)5-6-11-10(4)12(15)8(2)9(3)13(11)16/h7,14H,5-6H2,1-4H3
• InChIKey: IVJZAQSBVCDOMN-UHFFFAOYSA-N

Properties

• Density: 1.077g/cm³ (Cal.)
• Boiling point: 342.05°C at 760 mmHg (Cal.)
• Flash point: 174.866°C (Cal.)
• Refractive index: 1.506 (Cal.)