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CAS No.: | 115-88-8 |
---|---|
Name: | diphenyl octyl phosphate |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C20H27O4P |
Molecular Weight: | 362.406 |
Synonyms: | Diphenyl octyl phosphate;Octyl diphenyl phosphate;Octyl phenyl phosphate; |
EINECS: | 204-113-8 |
Density: | 1.105 g/cm3 |
Boiling Point: | 425.5 °C at 760 mmHg |
Flash Point: | 224.6 °C |
Solubility: | 0.14mg/L(24 oC) |
Appearance: | Colorless Transparent Liquid |
PSA: | 54.57000 |
LogP: | 6.62960 |
Conditions | Yield |
---|---|
With titanium tetrachloride; triethylamine In tetrahydrofuran at 20℃; for 1h; | 94% |
With titanium(IV) tetrabutoxide; triethylamine In dichloromethane at 20℃; for 1h; | 92% |
With pyridine |
Conditions | Yield |
---|---|
With sodium carbonate In cyclohexane at 80℃; for 24h; Schlenk technique; | 83% |
Conditions | Yield |
---|---|
With copper(l) iodide; sodium carbonate; triethylamine In tetrachloromethane at 80℃; for 12h; | 82% |
2-octyloxy-benzooxazole
diphenyl hydrogen phosphate
diphenyl hydrogenphosphate
diphenyl hydrogen phosphate
octanol
ethyl (E)-3-(2-furyl)prop-2-enoate
A
diphenyl hydrogenphosphate
B
(E)-3-Furan-2-yl-acrylic acid octyl ester
C
mono-octyl phenyl phosphoric acid
D
diphenyl 3-(2-furyl) acrylyl phosphate
Conditions | Yield |
---|---|
potassium carbonate In dodecane for 3h; Product distribution; various cat.; |
diphenyl hydrogen phosphate
octanol
ethyl (E)-3-(2-furyl)prop-2-enoate
A
diphenyl hydrogenphosphate
B
(E)-3-Furan-2-yl-acrylic acid octyl ester
C
diphenyl 3-(2-furyl) acrylyl phosphate
Conditions | Yield |
---|---|
potassium carbonate at 143℃; for 3h; |
octyl phosphorodichloridate
diphenyl hydrogenphosphate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Et3N / CH2Cl2; petroleum ether / 30 h / Ambient temperature View Scheme |
octylmagnesium bromide
chlorophosphoric acid diphenyl ester
diphenyl hydrogenphosphate
Conditions | Yield |
---|---|
In diethyl ether at 20℃; for 12h; |
diphenyl hydrogenphosphate
tert-butyl 2-(bromomethyl)acrylate
tert-butyl 2-methyleneundecanoate
Conditions | Yield |
---|---|
Yield given. Multistep reaction; |
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The Phosphoric acid, octyldiphenyl ester, with the CAS registry number 115-88-8, is also known as Diphenyl octyl phosphate. Its EINECS number is 204-113-8. This chemical's molecular formula is C20H27O4P and molecular weight is 362.40. What's more, its systematic name is octyl diphenyl phosphate.
Physical properties of Phosphoric acid, octyldiphenyl ester are: (1)ACD/LogP: 6.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.82; (4)ACD/LogD (pH 7.4): 6.82; (5)ACD/BCF (pH 5.5): 89554.59; (6)ACD/BCF (pH 7.4): 89554.59; (7)ACD/KOC (pH 5.5): 121978.74; (8)ACD/KOC (pH 7.4): 121978.74; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 100.22 cm3; (15)Molar Volume: 327.8 cm3; (16)Polarizability: 39.73×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.105 g/cm3; (19)Flash Point: 224.6 °C; (20)Enthalpy of Vaporization: 65.39 kJ/mol; (21)Boiling Point: 425.5 °C at 760 mmHg; (22)Vapour Pressure: 4.71E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCCCCCCCC)(Oc1ccccc1)Oc2ccccc2
(2)Std. InChI: InChI=1S/C20H27O4P/c1-2-3-4-5-6-13-18-22-25(21,23-19-14-9-7-10-15-19)24-20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3
(3)Std. InChIKey: YAFOVCNAQTZDQB-UHFFFAOYSA-N