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Name |
Butanoic acid, 4-(diethoxyphosphinyl)- |
EINECS | N/A |
CAS No. | 38694-48-3 | Density | 1.167 g/cm3 |
PSA | 82.64000 | LogP | 2.11730 |
Solubility | N/A | Melting Point |
62°C |
Formula | C8H17O5P | Boiling Point | 358.7 °C at 760 mmHg |
Molecular Weight | 224.194 | Flash Point | 170.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
DIETHYLPHOSPHONOBUTANOIC ACID;DIETHYL-(3-CARBOXYPROPYL)-PHOSPHONATE;4-(DIETHYLPHOSPHONO)BUTANOIC ACID;4-(Diethylphosphono)butanoic acid, 98 % |
Article Data | 9 |
The Butanoic acid, 4-(diethoxyphosphinyl)-, with CAS registry number 38694-48-3, has the systematic name of 4-(diethoxyphosphoryl)butanoic acid. Besides this, it is also called Diethylphosphonobutanoic acid. And the chemical formula of this chemical is C8H17O5P.
Physical properties of Butanoic acid, 4-(diethoxyphosphinyl)-: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -2.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.07; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 71.64 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 51.04 cm3; (15)Molar Volume: 192 cm3; (16)Polarizability: 20.23×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.167 g/cm3; (19)Flash Point: 170.7 °C; (20)Enthalpy of Vaporization: 66.38 kJ/mol; (21)Boiling Point: 358.7 °C at 760 mmHg; (22)Vapour Pressure: 4.07E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Butanoic acid, 4-(diethoxyphosphinyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCC)(OCC)CCCC(=O)O
(2)InChI: InChI=1/C8H17O5P/c1-3-12-14(11,13-4-2)7-5-6-8(9)10/h3-7H2,1-2H3,(H,9,10)
(3)InChIKey: LCHMQUIASGRBNV-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H17O5P/c1-3-12-14(11,13-4-2)7-5-6-8(9)10/h3-7H2,1-2H3,(H,9,10)
(5)Std. InChIKey: LCHMQUIASGRBNV-UHFFFAOYSA-N