Tris(2-butoxyethyl) phosphate

Product Information

Molecular Formula:
C18H39O7P
Molecular Weight:
398.47
Description
Tris(2-butoxyethyl) phosphate (CAS# 78-51-3) is a useful research chemical.
Synonyms
tris(2-butoxyethyl) phosphate
IUPAC Name
tris(2-butoxyethyl) phosphate
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
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.
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.
Refractive Index
1.44
Stability
Stable under recommended storage conditions
LogP
4.59440
Vapor Pressure
0.03 mmHg at 302 °F
Henry's Law Constant
1.2X10-11 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits toxic fumes of /phosphorous oxides/
Odor
SWEETISH

Safety Information

Hazards
H319:
Causes serious eye irritation.
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

Computed Properties

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

Patents

Publication Number Title Priority Date
JP-2022033277-A Adhesive for unvulcanized rubber and adhesive for unvulcanized rubber Water dispersion 2022-01-05
CN-113970609-A LC-MS/MS analysis method for sediment organic phosphate and metabolite 2021-11-02
CN-113717677-A Double-component polyurethane adhesive and preparation method thereof 2021-08-24
CN-113686839-A Method for synchronously evaluating removal and toxicity reduction of organic phosphate in sewage aerobic process 2021-08-23
CN-113583325-A Processing method of low-temperature-resistant modified plastic 2021-08-05
CN-113671068-A Method for analyzing environmental pollutant targeting exposure component in blood plasma and application thereof 2021-07-27
KR-102340373-B1 Flame retardant epoxy composition 2021-07-27
CN-113372869-A Double-component yellowing-resistant flame-retardant polyurethane electronic pouring sealant and preparation method thereof 2021-07-19
CN-113527613-A Synthesis process of polyurethane elastomer and preparation process of microporous foam material 2021-06-17
AU-2021103279-A4 A process for isolation and yield increase of flavonoid compound/quercetin from plant houttuynia cordata thunb by uv-b exposure 2021-04-16

Literatures

PMID Publication Date Title Journal
33367866 2021-02-26 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 2019-06-17 Organophosphorus Flame Retardants Impair Intracellular Lipid Metabolic Function in Human Hepatocellular Cells Chemical research in toxicology
30974155 2019-05-15 Biotransformation and oxidative stress responses in rat hepatic cell-line (H4IIE) exposed to organophosphate esters (OPEs) Toxicology and applied pharmacology
30176492 2019-02-01 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
30149310 2018-12-01 Effects of environmentally relevant concentrations of tris (2-butoxyethyl) phosphate on growth and transcription of genes involved in the GH/IGF and HPT axes in zebrafish (Danio rerio) Chemosphere
29024780 2018-02-01 Toxicogenomics of the flame retardant tris (2-butoxyethyl) phosphate in HepG2 cells using RNA-seq Toxicology in vitro : an international journal published in association with BIBRA
28772162 2017-10-01 Acute exposure to tris (2-butoxyethyl) phosphate (TBOEP) affects growth and development of embryo-larval zebrafish Aquatic toxicology (Amsterdam, Netherlands)
28711770 2017-09-01 Multigenerational effects evaluation of the flame retardant tris(2-butoxyethyl) phosphate (TBOEP) using Daphnia magna Aquatic toxicology (Amsterdam, Netherlands)
27912163 2017-01-01 Reproduction impairment and endocrine disruption in adult zebrafish (Danio rerio) after waterborne exposure to TBOEP Aquatic toxicology (Amsterdam, Netherlands)
27146889 2016-12-01 Developmental neurotoxicity of organophosphate flame retardants in early life stages of Japanese medaka (Oryzias latipes) Environmental toxicology and chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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