1-Isobutyl-3,4-Dihydro-1H-Isochromene-6,7-Diol
[CAS# 459426-83-6]

Identification

• Name: 1-Isobutyl-3,4-Dihydro-1H-Isochromene-6,7-Diol
• Synonyms: 1H-2-BENZOPYRAN-6,7-DIOL, 3,4-DIHYDRO-1-(2-METHYLPROPYL)- (9CI); isochroman, 6,7-dihydroxy-1-isobutyl-
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.28
• CAS Registry Number: 459426-83-6
• SMILES: Oc1c(O)cc2c(c1)C(OCC2)CC(C)C
• InChI: 1S/C13H18O3/c1-8(2)5-13-10-7-12(15)11(14)6-9(10)3-4-16-13/h6-8,13-15H,3-5H2,1-2H3
• InChIKey: FSZWTFHBVRJYDB-UHFFFAOYSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 383.864°C at 760 mmHg (Cal.)
• Flash point: 185.955°C (Cal.)
• Refractive index: 1.552 (Cal.)