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Name	2-Ethylhexyl hydrogen-2-ethylhexylphosphonate	EINECS	238-865-3
CAS No.	14802-03-0	Density	0.953 g/cm³
PSA	56.34000	LogP	5.62120
Solubility	N/A	Melting Point	N/A
Formula	C₁₆H₃₅O₄P	Boiling Point	390.6 °C at 760 mmHg
Molecular Weight	306.426	Flash Point	190oC
Transport Information	3265	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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;

2-Ethylhexyl hydrogen-2-ethylhexylphosphonate Synthetic route

: 14802-03-0
(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester

: C25H55NO

: C16H34O3P(1-)*C25H54N(1+)

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In water; kerosene at 24.84℃; for 0.5h; pH=2.5; pH-value; Green chemistry;

2-Ethylhexyl hydrogen-2-ethylhexylphosphonate 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

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