Ethyl 8-oxo-8-[3-(4-thiomorpholinylmethyl)phenyl]octanoate
[CAS# 898788-26-6]

Identification

• Name: Ethyl 8-oxo-8-[3-(4-thiomorpholinylmethyl)phenyl]octanoate
• Synonyms: ethyl 8-oxo-8-[3-(thiomorpholinomethyl)phenyl]octanoate
• Molecular Formula: C₂₁H₃₁NO₃S
• Molecular Weight: 377.54
• CAS Registry Number: 898788-26-6
• SMILES: CCOC(=O)CCCCCCC(=O)c2cc(CN1CCSCC1)ccc2
• InChI: 1S/C21H31NO3S/c1-2-25-21(24)11-6-4-3-5-10-20(23)19-9-7-8-18(16-19)17-22-12-14-26-15-13-22/h7-9,16H,2-6,10-15,17H2,1H3
• InChIKey: NPFJRSOAKUXZKM-UHFFFAOYSA-N

Properties

• Density: 1.103g/cm³ (Cal.)
• Boiling point: 509.645°C at 760 mmHg (Cal.)
• Flash point: 262.024°C (Cal.)
• Refractive index: 1.544 (Cal.)