Tris(2-ethylhexyl) phosphate - CAS 78-42-2
Catalog: |
BB036168 |
Product Name: |
Tris(2-ethylhexyl) phosphate |
CAS: |
78-42-2 |
Synonyms: |
tris(2-ethylhexyl) phosphate |
IUPAC Name: | tris(2-ethylhexyl) phosphate |
Description: | Tris(2-ethylhexyl) phosphate (CAS# 78-42-2) is a useful research chemical. |
Molecular Weight: | 434.63 |
Molecular Formula: | C24H51O4P |
Canonical SMILES: | CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC |
InChI: | InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3 |
InChI Key: | GTVWRXDRKAHEAD-UHFFFAOYSA-N |
Boiling Point: | 215 °C (4 torr) |
Melting Point: | -70 °C |
Flash Point: | 204 °C |
Purity: | > 98.0 % (GC) |
Density: | 0.92 g/cm3 |
Solubility: | Soluble in Ether, Alcohol, Acetone |
Appearance: | Clear colorless to pale yellow liquid with a slight sharp odor. |
Storage: | In general, materials which are toxic as stored or which can decomp into toxic components.Should be stored in a cool, well-ventilated place, out of direct rays of the sun, away from areas of high fire hazard, and should be periodically inspected. Incompat |
MDL: | MFCD00009491 |
LogP: | 8.79350 |
Refractive Index: | 1.44 |
Vapor Pressure: | 1.9 mmHg at 392 °F |
GHS Hazard Statement: | H315 (93.26%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
30966736 | 20190617 | Organophosphorus Flame Retardants Impair Intracellular Lipid Metabolic Function in Human Hepatocellular Cells | Chemical research in toxicology |
25510514 | 20150122 | Affinities of organophosphate flame retardants to tumor suppressor gene p53: an integrated in vitro and in silico study | Toxicology letters |
24844797 | 20140617 | Potential estrogenic effects of phosphorus-containing flame retardants | Environmental science & technology |
24273086 | 20140301 | Use of an avian hepatocyte assay and the avian Toxchip Polymerse chain reaction array for testing prioritization of 16 organic flame retardants | Environmental toxicology and chemistry |
24051214 | 20131206 | In vitro endocrine disruption potential of organophosphate flame retardants via human nuclear receptors | Toxicology |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 434.35249710 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 434.35249710 |
Rotatable Bond Count: | 21 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.9 |
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