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
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.
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.
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 |
