CAS No.1070-03-7,(2-ETHYLHEXYL) PHOSPHATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1070-03-7
Name:	(2-ETHYLHEXYL) PHOSPHATE
Article Data:	6

Formula:	C₈H₁₉O₄P
Molecular Weight:	210.21
Synonyms:	1-Hexanol,2-ethyl-, dihydrogen phosphate (7CI);1-Hexanol, 2-ethyl-, phosphate (6CI);2-Ethylhexyl dihydrogen phosphate;Mono(2-ethylhexyl)phosphate;Monooctylphosphate;Orthophosphoric acid 2-ethylhexyl alcoholmonoester;
EINECS:	213-967-0
Density:	1.127 g/cm³
Boiling Point:	321.8 °C at 760 mmHg
Flash Point:	148.4 °C
Hazard Symbols:	C
Risk Codes:	21-34
Safety:	26-36/37/39-45
PSA:	76.57000
LogP:	2.31210

Synthetic route

: 104-76-7
2-Ethylhexyl alcohol

A: 298-07-7
Bis(2-ethylhexyl)phosphoric acid

B: 78-42-2
tris(2-ethylhexyl) phosphate

C: 1070-03-7
2-ethylhexylphosphoric acid

Conditions

Conditions	Yield
With phosphorus pentoxide at 21℃; for 0.616667h; Product distribution; Mechanism; var.temps. and time;	A 21.9% B 25% C 15.6%

...Expand

: 104-76-7
2-Ethylhexyl alcohol

A: 298-07-7
Bis(2-ethylhexyl)phosphoric acid

B: 1070-03-7
2-ethylhexylphosphoric acid

Conditions

Conditions	Yield
With phosphorus pentaoxide microwave irradiation;

: 78-42-2
tris(2-ethylhexyl) phosphate

A: 298-07-7
Bis(2-ethylhexyl)phosphoric acid

B: 1070-03-7
2-ethylhexylphosphoric acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water at 100℃; for 2h; Title compound not separated from byproducts.;

: 1070-03-7
2-ethylhexylphosphoric acid

: lanthanum(III) nitrate

: 2La(3+)*3CH3(CH2)3CH(CH2CH3)CH2OPO3(2-)*3H2O=La2(CH3(CH2)3CH(CH2CH3)CH2OPO3)3*3H2O

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone addn. of NaOH to org. acid (complete neutralization of org. acid), addn.of soln. of La(NO3)3 in acetone, stirring )1 h), addn. of H2O; pptn. (after 24 h), washing (acetone, H2O), drying (in desiccator with H2SO4, 48 h); elem. anal.;

: 1070-03-7
2-ethylhexylphosphoric acid

: lanthanum(III) nitrate

: La(3+)*3CH3(CH2)3CH(CH2CH3)CH2OP(O)2(OH)(1-)*1.5H2O=La(CH3(CH2)3CH(CH2CH3)CH2OP(O)2(OH))3*1.5H2O

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone mixing of org. acid with 0.5 mol/l NaOH (org. acid : Na =1 : 1), stirring, addn. of soln. of La(NO3)3 in acetone, stirring )1 h), addn. of H2O; pptn. (after 24 h), washing (acetone, H2O), drying (in desiccator with H2SO4, 48 h); elem. anal.;

Raw Materials

78-42-2

104-76-7

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Specification

The Phosphoric acid,mono(2-ethylhexyl) ester, with the CAS registry number 1070-03-7, is also known as 2-Ethylhexyl acid phosphate. Its EINECS number is 213-967-0. This chemical's molecular formula is C₈H₁₉O₄P and molecular weight is 210.21. What's more, its systematic name is 2-Ethylhexyl dihydrogen phosphate. Its classification codes are: Skin/Eye Irritant.

Physical properties of Phosphoric acid,mono(2-ethylhexyl) ester are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.33; (4)ACD/LogD (pH 7.4): -2.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 54.57 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 50.75 cm³; (15)Molar Volume: 186.4 cm³; (16)Polarizability: 20.12×10^-24 cm³; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.127 g/cm³; (19)Flash Point: 148.4 °C; (20)Enthalpy of Vaporization: 61.96 kJ/mol; (21)Boiling Point: 321.8 °C at 760 mmHg; (22)Vapour Pressure: 6.01E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(CC)COP(=O)(O)O
(2)InChI: InChI=1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
(3)InChIKey: LJKDOMVGKKPJBH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LDLo	skin	2gm/kg (2000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	National Technical Information Service. Vol. OTS0545780,
rat	LD50	oral	3450mg/kg (3450mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA	National Technical Information Service. Vol. OTS0545780,