Phosphoric aciddiphenyl ethylhexyl ester

Product Information

Molecular Formula:
C20H27O4P
Molecular Weight:
362.4
Description
2-ethylhexyl diphenyl phosphate is a pale yellow liquid. Insoluble in water.
Synonyms
2-ETHYLHEXYL DIPHENYL PHOSPHATE; Diphenyl-2-ethylhexyl phosphate; OCTYL DIPHENYL PHOSPHATE; PHOSPHORIC ACID OCTYL DIPHENYL ESTER; PHOSPHORIC ACID DIPHENYL 2-ETHYLHEXYL ESTER; PHOSPHORIC ACID 2-ETHYLHEXYL DIPHENYL ESTER; (2-Ethylhexyl)-difenylfosfat; 1-Hexanol,
IUPAC Name
2-ethylhexyl diphenyl phosphate
Canonical SMILES
CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
InChI Key
CGSLYBDCEGBZCG-UHFFFAOYSA-N
Boiling Point
232 °C/5 mmHg
Melting Point
-30 °C
Flash Point
224 °C
Purity
>90.0%(GC)
Density
1.103 g/cm3
Solubility
Insoluble
Appearance
Pale yellow liquid. Insoluble in water.
Application
Used as plasticizer and fireproofing agent for polyvinyl chlorides and polyvinyl copolymers in food packaging and hydraulic fluids for large aircraft.
Refractive Index
1.51
Stability
Stable under recommended storage conditions.
LogP
log Kow = 5.730
Vapor Pressure
0.0000629 [mmHg]
Henry's Law Constant
5.42X10-5 atm cu m/mole at 25 °C
Decomposition
When heated to decomposition it emits toxic fumes of PO(x) /phosphorus oxides.

Safety Information

Hazards
H410:
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P273:
Avoid release to the environment.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Signal Word
Warning

Computed Properties

XLogP3
6.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
11
Exact Mass
362.16469634 g/mol
Monoisotopic Mass
362.16469634 g/mol
Topological Polar Surface Area
44.8Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
365
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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
CN-113970609-A LC-MS/MS analysis method for sediment organic phosphate and metabolite 2021-11-02
CN-114015183-A Novel wear-resistant high polymer material 2021-10-28
CN-113975779-A Flexible self-adaptation protective equipment 2021-10-26
CN-113720945-A QuEChRS method-based detection method for rapidly detecting organic phosphate flame retardant and metabolite thereof in urine 2021-09-30
CN-113528018-A Coating material, preparation method thereof and coiled material 2021-09-13
CN-113528018-B Coating material, preparation method thereof and coiled material 2021-09-13
CN-113791146-A Method for detecting organic phosphate pollutants in food and sample treatment method thereof 2021-08-27
CN-113832737-A Preparation method of PVC light-transmitting leather 2021-07-29
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

Literatures

PMID Publication Date Title Journal
36228718 2022-12-01 Oxidative stress and ferroptosis involved in 2-ethylhexyl diphenyl phosphate -induced hepatotoxicity in chicken Chemico-biological interactions
33969458 2022-10-01 Neurodevelopmental toxicity assessment of flame retardants using a human DNT in vitro testing battery Cell biology and toxicology
35503735 2022-05-01 Screening of Organophosphate Flame Retardants with Placentation-Disrupting Effects in Human Trophoblast Organoid Model and Characterization of Adverse Pregnancy Outcomes in Mice Environmental health perspectives
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
31812418 2020-04-01 Adipogenic activity of 2-ethylhexyl diphenyl phosphate via peroxisome proliferator-activated receptor γ pathway The Science of the total environment
31724879 2019-11-01 Screening of House Dust from Chinese Homes for Chemicals with Liver X Receptors Binding Activities and Characterization of Atherosclerotic Activity Using an in Vitro Macrophage Cell Line and ApoE-/- Mice Environmental health perspectives
31268531 2019-10-01 Inhibition of Human Liver Carboxylesterase (hCE1) by Organophosphate Ester Flame Retardants and Plasticizers: Implications for Pharmacotherapy Toxicological sciences : an official journal of the Society of Toxicology
30981936 2019-07-01 Aryl-phosphorus-containing flame retardants induce oxidative stress, the p53-dependent DNA damage response and mitochondrial impairment in A549 cells Environmental pollution (Barking, Essex : 1987)
30652482 2019-02-19 Organophosphate Ester, 2-Ethylhexyl Diphenyl Phosphate (EHDPP), Elicits Cytotoxic and Transcriptomic Effects in Chicken Embryonic Hepatocytes and Its Biotransformation Profile Compared to Humans Environmental science & technology
28282128 2017-04-04 Activation of Peroxisome Proliferator-Activated Receptor Gamma and Disruption of Progesterone Synthesis of 2-Ethylhexyl Diphenyl Phosphate in Human Placental Choriocarcinoma Cells: Comparison with Triphenyl Phosphate Environmental science & technology
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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