7,10-Dimethyl-3-Pentyl-7a,8,9,11a-Tetrahydro-6H-Benzo[d][1]Benzoxepine-1,7-Diol
[CAS# 158550-93-7]

Identification

• Name: 7,10-Dimethyl-3-Pentyl-7a,8,9,11a-Tetrahydro-6H-Benzo[d][1]Benzoxepine-1,7-Diol
• Synonyms: 3-Amyl-7,10-Dimethyl-7A,8,9,11A-Tetrahydro-6H-Benzo[D][1]Benzoxepine-1,7-Diol; 3-Pehhdo; 3-Pentyl-6,7,7A,8,9,11A-Hexahydro-1,7-Dihydroxy-7,10-Dimethyldibenzo(B,D)Oxepin
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 158550-93-7
• SMILES: C1=C(C=C(O)C2=C1OCC(O)(C3C2C=C(CC3)C)C)CCCCC
• InChI: 1S/C21H30O3/c1-4-5-6-7-15-11-18(22)20-16-10-14(2)8-9-17(16)21(3,23)13-24-19(20)12-15/h10-12,16-17,22-23H,4-9,13H2,1-3H3
• InChIKey: FHBKGUVKPKDHKT-UHFFFAOYSA-N

Properties

• Density: 1.085g/cm³ (Cal.)
• Boiling point: 434.62°C at 760 mmHg (Cal.)
• Flash point: 216.651°C (Cal.)