Tris(2-butoxyethyl) phosphate - CAS 78-51-3

Catalog:	BB036183
Product Name:	Tris(2-butoxyethyl) phosphate
CAS:	78-51-3
Synonyms:	tris(2-butoxyethyl) phosphate
Application:	Used as a plasticizer for resins and elastomers, in floor finishes and waxes, as a flame retardant, as a plasticizer for rubber stoppers in blood specimen containers, and as a fire-resistant and light-stable plasticizer for products intended for food contact; Occupational exposure is likely to be by skin absorption during production and from floor polishes; Used as solvent for resins, a viscosity modifier in plastisols, and an antifoam agent for synthetic rubber, plastics, and lacquers.

Technical Data

IUPAC Name:	tris(2-butoxyethyl) phosphate
Description:	Tris(2-butoxyethyl) phosphate (CAS# 78-51-3) is a useful research chemical.
Molecular Weight:	398.47
Molecular Formula:	C18H39O7P
Canonical SMILES:	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
InChI:	InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
InChI Key:	WTLBZVNBAKMVDP-UHFFFAOYSA-N
Boiling Point:	215-228 °C (4 mmHg)
Melting Point:	-70 °C
Flash Point:	210 °C
Purity:	95 %
Density:	1.006 g/cm³
Solubility:	Soluble
Appearance:	Viscous colourless or slightly yellow liquid
Storage:	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Decomposition:	When heated to decomposition it emits toxic fumes of /phosphorous oxides/
MDL:	MFCD00009456
LogP:	4.59440
Refractive Index:	1.44
Stability:	Stable under recommended storage conditions
Vapor Pressure:	0.03 mmHg at 302 °F

GHS Hazard Statement:	H302 (27.43%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113372869-A	Double-component yellowing-resistant flame-retardant polyurethane electronic pouring sealant and preparation method thereof	20210719
AU-2021103279-A4	A process for isolation and yield increase of flavonoid compound/quercetin from plant houttuynia cordata thunb by uv-b exposure	20210416
CN-113072895-A	Self-adhesive polymer modified asphalt waterproof coiled material and preparation method thereof	20210412
CN-113203804-A	Method for detecting organic phosphate in soil/sediment	20210407
CN-112852046-A	Preparation method of modified plastic	20210311

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
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
30966736	20190617	Organophosphorus Flame Retardants Impair Intracellular Lipid Metabolic Function in Human Hepatocellular Cells	Chemical research in toxicology
30974155	20190515	Biotransformation and oxidative stress responses in rat hepatic cell-line (H4IIE) exposed to organophosphate esters (OPEs)	Toxicology and applied pharmacology
30176492	20190201	Global microRNA and isomiR expression associated with liver metabolism is induced by organophosphorus flame retardant exposure in male Chinese rare minnow (Gobiocypris rarus)	The Science of the total environment

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	398.24334058
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	398.24334058
Rotatable Bond Count:	21
Topological Polar Surface Area:	72.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8