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Dioctyl phosphonate

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Name

Dioctyl phosphonate

EINECS 217-315-6
CAS No. 1809-14-9 Density 0.926[at 20℃]
PSA 59.00000 LogP 6.13030
Solubility 47.2mg/L at 20℃ Melting Point N/A
Formula C16H35O3P Boiling Point 381.265 °C at 760 mmHg
Molecular Weight 306.426 Flash Point 203.539 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1809-14-9 (dioctyl phosphonate) Hazard Symbols N/A
Synonyms

Dioctyl hydrogen phosphite;Dioctyl phosphite;Dioctylphosphonate;Irgafos OPH;

Article Data 21

Dioctyl phosphonate Specification

This chemical is called Phosphonic acid,dioctyl ester, and it can also be named as Octyl phosphonate. With the molecular formula of C16H35O3P, its EINECS number is 217-315-6. The CAS registry number of this chemical is 1809-14-9, and its systematic name is Dioctyl phosphonate. 

Other characteristics of the Phosphonic acid,dioctyl ester can be summarised as followings: (1)ACD/LogP: 5.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 26908; (6)ACD/BCF (pH 7.4): 26908; (7)ACD/KOC (pH 5.5): 51581; (8)ACD/KOC (pH 7.4): 51581; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 59 Å2; (13)Flash Point: 203.539 °C; (14)Enthalpy of Vaporization: 60.486 kJ/mol; (15)Boiling Point: 381.265 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

Production method of this chemical: The Phosphonic acid,dioctyl ester could be obtained by the reactant of octan-1-ol. This reaction needs the reagent of PCl3, and the solvent of benzene. The yield is 93 %. In addition, this reaction should be taken for 2 hours at the temperature of 20 °C.

The Phosphonic acid,dioctyl ester could be obtained by the reactant of octan-1-ol.

Uses of this chemical: The (4-oxo-oxetan-2-ylmethyl)-phosphonic acid dioctyl ester could be obtained by the reactants of Phosphonic acid,dioctyl ester and diketene. This reaction needs the catalyst of bis(4-t-butylcyclohexyl)perdicarbonate. The yield is 55 %. This reaction should be taken for 1 hour at the temperature of 80 °C.

The (4-oxo-oxetan-2-ylmethyl)-phosphonic acid dioctyl ester could be obtained by the reactants of Phosphonic acid,dioctyl ester and diketene.

You can still convert the following datas into molecular structure:
1.SMILES: O=P(OCCCCCCCC)OCCCCCCCC
2.InChI: InChI=1/C16H35O3P/c1-3-5-7-9-11-13-15-18-20(17)19-16-14-12-10-8-6-4-2/h20H,3-16H2,1-2H3
3.InChIKey: CYXGBTZYTXLVDN-UHFFFAOYAZ

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