3-{[10-Ethyl-11-(4-hydroxyphenyl)dibenzo[b,f]thiepin-3-yl]oxy}-1,2-propanediol
[CAS# 85850-94-8]

Identification

• Name: 3-{[10-Ethyl-11-(4-hydroxyphenyl)dibenzo[b,f]thiepin-3-yl]oxy}-1,2-propanediol
• Synonyms: 1,2-Propanediol, 3-((10-ethyl-11-(p-hydroxyphenyl)dibenzo(b,f)thiepin-3-yl)oxy)-; 1,2-propanediol, 3-[[10-ethyl-11-(4-hydroxyphenyl)dibenzo[b,f]thiepin-3-yl]oxy]-; 3-((10-Ethyl-11-(p-hydroxyphenyl)dibenzo(b,f)thiepin-3-yl)oxy)-1,2-propanediol
• Molecular Formula: C₂₅H₂₄O₄S
• Molecular Weight: 420.52
• CAS Registry Number: 85850-94-8
• SMILES: CCC1=C(C2=C(C=C(C=C2)OCC(CO)O)SC3=CC=CC=C31)C4=CC=C(C=C4)O
• InChI: 1S/C25H24O4S/c1-2-20-21-5-3-4-6-23(21)30-24-13-19(29-15-18(28)14-26)11-12-22(24)25(20)16-7-9-17(27)10-8-16/h3-13,18,26-28H,2,14-15H2,1H3
• InChIKey: ALAWFOUNZCSZPS-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 643.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 342.8±31.5°C (Cal.)