Triphenyl phosphate - CAS 115-86-6

Catalog:	BB003637
Product Name:	Triphenyl phosphate
CAS:	115-86-6
Synonyms:	triphenyl phosphate
Application:	Used as a plasticizer, fire-retardant, and substitute for camphor in celluloid; also used in lubricating oils and hydraulic fluids.

Technical Data

IUPAC Name:	triphenyl phosphate
Description:	Triphenyl phosphate (CAS# 115-86-6) is a useful research chemical.
Molecular Weight:	326.28
Molecular Formula:	C18H15O4P
Canonical SMILES:	C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI:	InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChI Key:	XZZNDPSIHUTMOC-UHFFFAOYSA-N
Boiling Point:	220 ℃ / 11 mmHg
Melting Point:	50 ℃
Flash Point:	220ºC
Purity:	> 99.0 % (GC)
Density:	1.2055 g/cm³
Solubility:	Soluble in Alcohol, Ether, Toluene, Benzene, Acetone, Chloroform
Appearance:	White to almost white lump
Storage:	Sealed in dry, Room Temperature
Decomposition:	Hazardous decomposition products: toxic gases and vapors (such as phosphoric acid fume and carbon monoxide) may be released in a fire involving triphenyl phosphate
MDL:	MFCD00003031
LogP:	5.33150
Refractive Index:	1.563
Stability:	Stable.
Vapor Pressure:	1.3 mm Hg ( 200 °C)

GHS Hazard Statement:	H400 (83.14%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-11028300-B1	Environmentally friendly refrigerant compositions	20200916
US-10934384-B1	Polyurethane elastomer compositions, and processes thereof	20200909
US-10934385-B1	Polyurethane elastomers, bio-additive foam compositions	20200909
EP-3838959-A1	Stable modified polymer polyol dispersions	20191220
EP-3838962-A1	Stable modified polymer polyol dispersions	20191220

PMID	Publication Date	Title	Journal
33969458	20210510	Neurodevelopmental toxicity assessment of flame retardants using a human DNT in vitro testing battery	Cell biology and toxicology
33049310	20210401	Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment	Toxicology in vitro : an international journal published in association with BIBRA
33367866	20210226	Effects of an Environmentally Relevant Mixture of Organophosphate Esters Derived From House Dust on Endochondral Ossification in Murine Limb Bud Cultures	Toxicological sciences : an official journal of the Society of Toxicology
33078273	20210101	Organophosphorus flame retardants are developmental neurotoxicants in a rat primary brainsphere in vitro model	Archives of toxicology
32679393	20201001	Exposure to Organophosphate esters and metabolic syndrome in adults	Environment international

Complexity:	325
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	326.07079595
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	326.07079595
Rotatable Bond Count:	6
Topological Polar Surface Area:	44.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6