6,8-Dihydroxy-3-[(6-Methyloxan-2-Yl)Methyl]Isochroman-1-One
[CAS# 35818-31-6]

Identification

• Name: 6,8-Dihydroxy-3-[(6-Methyloxan-2-Yl)Methyl]Isochroman-1-One
• Synonyms: 6,8-Dihydroxy-3-[(6-Methyltetrahydropyran-2-Yl)Methyl]Isochroman-1-One; 6,8-Dihydroxy-3-[(6-Methyl-2-Tetrahydropyranyl)Methyl]-1-Isochromanone; 1H-2-Benzopyran-1-One, 3,4-Dihydro-6,8-Dihydroxy-3-((Tetrahydro-6-Methyl-2H-Pyra
• Molecular Formula: C₁₆H₂₀O₅
• Molecular Weight: 292.33
• CAS Registry Number: 35818-31-6
• SMILES: C1=C(C2=C(C=C1O)CC(OC2=O)CC3OC(C)CCC3)O
• InChI: 1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3
• InChIKey: WOMKDMUZNBFXKG-UHFFFAOYSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 543.361°C at 760 mmHg (Cal.)
• Flash point: 204.045°C (Cal.)