DIETHYL (3,3-DIETHOXYPROPYL)PHOSPHONATE

The Phosphonic acid,P-(3,3-diethoxypropyl)-, diethyl ester is an organic compound with the formula C₁₁H₂₅O₅P. The IUPAC name of this chemical is 3-Diethoxyphosphoryl-1,1-diethoxypropane. With the CAS registry number 15110-17-5, it is also named as Diethyl (3,3-diethoxyprop-1-yl)phosphonate. Besides, it is clear light yellow to orange liquid.

Physical properties about Phosphonic acid,P-(3,3-diethoxypropyl)-, diethyl ester are: (1)ACD/LogP: 1.74; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 11; (4)Polar Surface Area: 63.8 Å²; (5)Index of Refraction: 1.427; (6)Molar Refractivity: 66.82 cm³; (7)Molar Volume: 260 cm³; (8)Polarizability: 26.49×10^-24 cm³; (9)Surface Tension: 31.8 dyne/cm; (10)Density: 1.031 g/cm³; (11)Flash Point: 170.2 °C; (12)Enthalpy of Vaporization: 55.51 kJ/mol; (13)Boiling Point: 335 °C at 760 mmHg; (14)Vapour Pressure: 0.000239 mmHg at 25 °C.

Preparation: this chemical can be prepared by Phosphorous acid triethyl ester. The yield is about 82%.

Uses of Phosphonic acid,P-(3,3-diethoxypropyl)-, diethyl ester: it can be used to produce (3-Oxo-propyl)-phosphonic acid diethyl ester. The reaction time is 3 hours. And this reaction will need heating. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H25O5P/c1-5-13-11(14-6-2)9-10-17(12,15-7-3)16-8-4/h11H,5-10H2,1-4H3
(2)InChIKey: WKPXMGJOGYEGNW-UHFFFAOYAV
(3)Std. InChI: InChI=1S/C11H25O5P/c1-5-13-11(14-6-2)9-10-17(12,15-7-3)16-8-4/h11H,5-10H2,1-4H3
(4)Std. InChIKey: WKPXMGJOGYEGNW-UHFFFAOYSA-N