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CAS No.: | 14802-03-0 |
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Name: | 2-ethylhexyl hydrogen -2-ethylhexylphosphonate |
Molecular Structure: | |
Formula: | C16H35O4P |
Molecular Weight: | 306.426 |
Synonyms: | Phosphonic acid,P-(2-ethylhexyl)-, mono(2-ethylhexyl) ester;Phosphonicacid, (2-ethylhexyl)-, mono(2-ethylhexyl) ester (6CI,7CI,8CI,9CI);1-Hexanol,2-ethyl-, (2-ethylhexyl)phosphonate (6CI);(2-Ethylhexyl)phosphonic acidmono(2-ethylhexyl) ester;2-Ethylhexyl (2-ethylhexyl)phosphonate;2-Ethylhexylhydrogen (2-ethylhexyl)phosphonate;HEHEHP;KSM 17;MOOP;Mono(2-ethylhexyl)2-ethylhexylphosphonate;P 507;PC 88A;Phosphonic acid, (2-ethylhexyl)-, mono(2-ethylhexyl) ester;Hydrogeno-2-ethylhexyl phosphonate de 2-ethylhexyle;2-Ethylhexyl hydrogen-2-ethylhexyl phosphonate;2-Ethylhexyl (2-ethylhexyl) phosphonate;(2-Ethylhexyl)phosphonic acid, mono(2-ethylhexyl) ester; |
EINECS: | 238-865-3 |
Density: | 0.953 g/cm3 |
Boiling Point: | 390.6 °C at 760 mmHg |
Flash Point: | 190oC |
Appearance: | Colorless or slightly yellow oily liquid |
Transport Information: | 3265 |
PSA: | 56.34000 |
LogP: | 5.62120 |
Conditions | Yield |
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In methanol at 20℃; for 6h; | 95.8% |
(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester
Diphenyliodonium triflate
Conditions | Yield |
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With triethylamine In toluene at 110℃; for 3h; Inert atmosphere; | 92% |
(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester
Conditions | Yield |
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In methanol at 20℃; for 6h; | 91.4% |
(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester
benzyl bromide
Conditions | Yield |
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With caesium carbonate In acetonitrile at 100℃; for 12h; Inert atmosphere; | 91% |
Conditions | Yield |
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With copper(l) iodide; sodium carbonate; triethylamine In tetrachloromethane at 80℃; for 12h; | 85% |
Conditions | Yield |
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With N,N-dimethyl-aniline; 1,1'-carbonyldiimidazole In acetonitrile at 20℃; for 12h; Inert atmosphere; | 59% |
(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester
neodymium trichloride
Conditions | Yield |
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In hydrogenchloride extn. of NdCl3 in aq. HCl with phosphonic acid ester in molten paraffinwax; IR spectroscopy; |
(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester
Conditions | Yield |
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With lactic acid; NaNO3 In further solvent(s) soln. of Eu(NO3)3 in H2O (pH 3.6, ionic strength 2.0 M using NaNO3) extd. with soln. of phoshate in 1,4-diisopropylbenzene in presence of lacticacid; not isolated; org. phase detd. by fluorescence spectra; |
2,4,6-triamino-s-triazine
(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester
Conditions | Yield |
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In ethanol at 75℃; for 0.5h; |
cerium(III) chloride
Bis(2-ethylhexyl)phosphoric acid
(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester
Conditions | Yield |
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In water; kerosene at 24.84℃; for 0.5h; pH=2.5; pH-value; Green chemistry; |
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This chemical is called Phosphonic acid, P-(2-ethylhexyl)-, mono(2-ethylhexyl) ester, and its CAS registry number is 14802-03-0. With the molecular formula of C16H35O4P, its product category is Industrial/Fine Chemicals.
Other characteristics of the Phosphonic acid, P-(2-ethylhexyl)-, mono(2-ethylhexyl) ester can be summarised as followings: (1)ACD/LogP: 5.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 11.94; (6)ACD/BCF (pH 7.4): 3.66; (7)ACD/KOC (pH 5.5): 29.34; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 45.34 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 86.24 cm3; (15)Molar Volume: 321.4 cm3; (16)Polarizability: 34.19×10-24cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 0.953 g/cm3; (19)Flash Point: 190 °C; (20)Enthalpy of Vaporization: 70.26 kJ/mol; (21)Boiling Point: 390.6 °C at 760 mmHg; (22)Vapour Pressure: 3.46E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=P(OCC(CCCC)CC)(O)CC(CC)CCCC
2.InChI: InChI=1/C16H35O3P/c1-5-9-11-15(7-3)13-19-20(17,18)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)
3.InChIKey: ZDFBXXSHBTVQMB-UHFFFAOYAK