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14802-03-0

Basic Information
CAS No.: 14802-03-0
Name: 2-ethylhexyl hydrogen -2-ethylhexylphosphonate
Molecular Structure:
Molecular Structure of 14802-03-0 (2-ethylhexyl hydrogen -2-ethylhexylphosphonate)
Formula: C16H35O4P
Molecular Weight: 306.426
Synonyms: 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
Transport Information: 3265
PSA: 56.34000
LogP: 5.62120
Synthetic route
14802-03-0

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester

C25H55NO

C16H34O3P(1-)*C25H54N(1+)

Conditions
ConditionsYield
In methanol at 20℃; for 6h;95.8%
14802-03-0

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester

66003-76-7

Diphenyliodonium triflate

C21H37O3P

Conditions
ConditionsYield
With triethylamine In toluene at 110℃; for 3h; Inert atmosphere;92%
14802-03-0

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester

tetra-n-butylammonium hydroxide

C16H34O3P(1-)*C16H36N(1+)

Conditions
ConditionsYield
In methanol at 20℃; for 6h;91.4%
14802-03-0

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester

100-39-0

benzyl bromide

benzyl 2-ethylhexyl (2-ethylhexyl)phosphonate

Conditions
ConditionsYield
With caesium carbonate In acetonitrile at 100℃; for 12h; Inert atmosphere;91%
67-56-1

methanol

14802-03-0

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester

C17H37O3P

Conditions
ConditionsYield
With copper(l) iodide; sodium carbonate; triethylamine In tetrachloromethane at 80℃; for 12h;85%
14802-03-0

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester

108-95-2

phenol

C22H39O3P

Conditions
ConditionsYield
With N,N-dimethyl-aniline; 1,1'-carbonyldiimidazole In acetonitrile at 20℃; for 12h; Inert atmosphere;59%
14802-03-0

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester

10024-93-8

neodymium trichloride

Nd[H(P(O)O(CH2CH(C2H5)C4H9)(OCH2CH(C2H5)C4H9))2]3*99H2O

Conditions
ConditionsYield
In hydrogenchloride extn. of NdCl3 in aq. HCl with phosphonic acid ester in molten paraffinwax; IR spectroscopy;
14802-03-0

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester

europium(III) nitrate

Eu((2-ethylhexyl)phosphonate mono(2-ethylhexyl) ester)3((2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester)3

Conditions
ConditionsYield
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;
108-78-1

2,4,6-triamino-s-triazine

14802-03-0

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester

C16H35O3P*C3H6N6

Conditions
ConditionsYield
In ethanol at 75℃; for 0.5h;
7790-86-5

cerium(III) chloride

298-07-7

Bis(2-ethylhexyl)phosphoric acid

14802-03-0

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester

xC16H34O3P(1-)*(3-x)C16H34O4P(1-)*Ce(3+)

Conditions
ConditionsYield
In water; kerosene at 24.84℃; for 0.5h; pH=2.5; pH-value; Green chemistry;
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    2 ethylhexyl hydrogen 2 ethylhexylphosphonate

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    Product name: 2-Ethylhexyl Phosphate 2-Ethylhexyl CAS No.:14802-03-0 Molecule Formula:C16H35O3P Molecule Weight:306.42 Purity: 97.0% Package: 200kg/drum Description:Colorless to yellowish transparent liquid Manufacture Standards:Enterprise Sta

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  • 2-Ethylhexyl 2-Ethylhexyl Phosphate

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Specification

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