| Identification | |
| Name: | butanoyloxyphosphonic acid |
| Synonyms: | Butanoic acid, monoanhydride with phosphoric acid;Butyric acid, monoanhydride with phosphoric acid;Butanoyl phosphate;Butanoic acid,anhydrides,monoanhydride with phosphoric acid;Butanoyl phosphate (C3H7C(:O)OP(:O)(OH)2);1-butanol, 1-oxo-, dihydrogen phosphate;Butyric acid, anhydride with H3PO4; |
| CAS: | 4378-06-7 |
| Molecular Formula: | C4H9O5P |
| Molecular Weight: | 168.085 |
| InChI: | InChI=1/C4H9O5P/c1-2-3-4(5)9-10(6,7)8/h2-3H2,1H3,(H2,6,7,8) |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 144.9°C |
| Boiling Point: | 316°Cat760mmHg |
| Density: | 1.434g/cm3 |
| Refractive index: | 1.463 |
| Specification: |
The systematic name of Butyryl phosphate is butanoyl dihydrogen phosphate. With the CAS registry number 4378-06-7, it is also named as 1-butanol, 1-oxo-, dihydrogen phosphate. Additionally, it is an intermediate in the fermentation of butyric acid. The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.4; (4)ACD/LogD (pH 7.4): -5.27; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 32.29 cm3; (14)Molar Volume: 117.2 cm3; (15)Polarizability: 12.8×10-24 cm3; (16)Surface Tension: 56.6 dyne/cm; (17)Enthalpy of Vaporization: 61.28 kJ/mol; (18)Vapour Pressure: 8.99E-05 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Exact Mass: 168.01876; (21)MonoIsotopic Mass: 168.01876; (22)Topological Polar Surface Area: 83.8; (23)Heavy Atom Count: 10; (24)Complexity: 159. People can use the following data to convert to the molecule structure. |
| Flash Point: | 144.9°C |
| Safety Data | |
 |
|
