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Phosphorous acid,2-ethylhexyl diphenyl ester

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Name

Phosphorous acid,2-ethylhexyl diphenyl ester

EINECS 239-716-5
CAS No. 15647-08-2 Density 1.0540
PSA 41.28000 LogP 6.60430
Solubility N/A Melting Point 215-219°C(lit.)
Formula C20H27O3P Boiling Point 389.9 °C at 760 mmHg
Molecular Weight 346.406 Flash Point 234.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R22; R36/37/38; R43
Molecular Structure Molecular Structure of 15647-08-2 (2-ETHYLHEXYL DIPHENYL PHOSPHITE) Hazard Symbols Xn,Xi
Synonyms

2-ETHYLHEXYL DIPHENYL PHOSPHITE;Diphenyl (2-ethylhexyl) phosphite;Diphenyl(2-ethylhexyl) phosphite;O,O-Diphenyl-O-(2-ethylhexyl)phosphite;Forstab;Forstab K 201;

 

Phosphorous acid,2-ethylhexyl diphenyl ester Synthetic route

104-76-7

2-Ethylhexyl alcohol

5382-00-3

Diphenyl phosphorochloridite

15647-08-2

phosphorous acid-(2-ethyl-hexyl ester)-diphenyl ester

Conditions
ConditionsYield
With hexane; ammonia

Phosphorous acid,2-ethylhexyl diphenyl ester Specification

The Phosphorous acid,2-ethylhexyl diphenyl ester, with CAS registry number of 15647-08-2, is also known as Diphenyl (2-ethylhexyl) phosphite. Its IUPAC name is 2-ethylhexyl diphenyl phosphite.The chemical fuormula of Phosphorous acid, 2-ethylhexyl diphenyl ester is C20H27O3P, and its molecular weight is 346.400341.

Physical properties about this chemical are: (1) ACD/LogP: 9.21; (2) # of Rule of 5 Violations:1; (3) ACD/LogD (pH 5.5): 9.21; (4) ACD/LogD (pH 7.4): 9.21; (5) ACD/BCF (pH 5.5): 1000000; (6) ACD/BCF (pH 7.4): 1000000; (7) ACD/KOC (pH 5.5): 2447998.25; (8) ACD/KOC (pH 7.4): 2447998.25; (9) # H bond acceptors: 3; (10) # H bond donors: 0; (11) # Freely Rotating Bonds: 11; (12) Polar Surface  Area: 41.28 Å2; (13) Flash Point: 234.1 °C; (14) Enthalpy of Vaporization: 61.43 kJ/mol; (15) Boiling  Point: 389.9 °C at 760 mmHg; (16) Vapour Pressure: 6.21E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O(P(Oc1ccccc1)Oc2ccccc2)CC(CC)CCCC
(2)InChI:InChI=1/C20H27O3P/c1-3-5-12-18(4-2)17-21-24(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
(3)InChIKey:XKZGIJICHCVXFV-UHFFFAOYAP

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