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trioctadecyl phosphate CAS#: 4889-45-6
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Nametrioctadecyl phosphateIUPAC Nametrioctadecyl phosphate Molecular StructureCAS Registry Number 4889-45-6EINECS Number225-509-7SynonymsTrioctadecyl phosphateTristearyl phosphate4889-45-6Phosphoric acid, tristearyl esterPhosphoric acid, trioctadecyl ester4KU600FQTMUNII-4KU600FQTMEINECS 225-509-7SCHEMBL258340DTXSID7063637FDGZUBKNYGBWHI-UHFFFAOYSA-NTRISTEARYL PHOSPHATE NS00014189Q27259909Molecular FormulaC54H111O4PMolecular Weight855.4InChIInChI=1S/C54H111O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-59(55,57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3InChI KeyFDGZUBKNYGBWHI-UHFFFAOYSA-NIsomeric SMILESCCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC

Physical Data

AppearanceSlightly yellow to milky white solid

Melting Point, °C 72

Spectra

Route of Synthesis (ROS)

Route of Synthesis (ROS) of trioctadecyl phosphate CAS# 4889-45-6

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

HS CodeStorageUnder the room temperature and away from lightShelf Life1 yearMarket Price

DruglikenessLipinski rules componentMolecular Weight855.447logP27.258HBA4HBD0Matching Lipinski Rules2Veber rules componentPolar Surface Area (PSA)54.57Rotatable Bond (RotB)54Matching Veber Rules1

Use PatternPhosphate ester flame retardants are a class of chemicals commonly used to enhance the fire-resistant properties of materials. These compounds contain phosphorus elements and, through their unique chemical properties, work to prevent or slow down the combustion process of materials at high temperatures. Phosphate ester flame retardants find widespread use in various industrial applications, including plastics, rubber, coatings, and electronic devices.
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