trioctadecyl phosphate CAS#: 4889-45-6; ChemWhat Code: 464146

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Nametrioctadecyl phosphate
IUPAC Nametrioctadecyl phosphate 
Molecular Structuretrioctadecyl-phosphate-CAS-4889-45-6
CAS Registry Number 4889-45-6
EINECS Number225-509-7
SynonymsTrioctadecyl phosphate
Tristearyl phosphate
4889-45-6
Phosphoric acid, tristearyl ester
Phosphoric acid, trioctadecyl ester
4KU600FQTM
UNII-4KU600FQTM
EINECS 225-509-7
SCHEMBL258340
DTXSID7063637
FDGZUBKNYGBWHI-UHFFFAOYSA-N
TRISTEARYL PHOSPHATE [INCI]
NS00014189
Q27259909
Molecular FormulaC54H111O4P
Molecular Weight855.4
InChIInChI=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/h4-54H2,1-3H3
InChI KeyFDGZUBKNYGBWHI-UHFFFAOYSA-N
Isomeric 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
Route of Synthesis (ROS) of trioctadecyl phosphate CAS# 4889-45-6

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

HS Code
StorageUnder the room temperature and away from light
Shelf Life1 year
Market Price
Druglikeness
Lipinski rules component
Molecular Weight855.447
logP27.258
HBA4
HBD0
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)54.57
Rotatable Bond (RotB)54
Matching Veber Rules1
Use Pattern
Phosphate 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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