Phosphoric acid, octyldiphenyl ester supplier

Name
diphenyl octyl phosphate
EINECS 204-113-8
CAS No. 115-88-8
Article Data9
CAS DataBase
Density 1.105 g/cm³
Solubility 0.14mg/L(24 oC)
Melting Point
Formula C₂₀H₂₇O₄P
Boiling Point 425.5 °C at 760 mmHg
Molecular Weight 362.406
Flash Point 224.6 °C
Transport Information
Appearance Colorless Transparent Liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Diphenyl octyl phosphate;Octyl diphenyl phosphate;Octyl phenyl phosphate;
PSA 54.57000
LogP 6.62960

Synthetic route

: 111-87-5
octanol

: 2524-64-3
chlorophosphoric acid diphenyl ester

: 115-88-8
diphenyl hydrogenphosphate

Conditions

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

: 111-87-5
octanol

: 26386-88-9
diphenyl phosphoryl azide

: 115-88-8
diphenyl hydrogenphosphate

Conditions

Conditions	Yield
With sodium carbonate In cyclohexane at 80℃; for 24h; Schlenk technique;	83%

: 838-85-7
diphenyl hydrogen phosphate

: 111-87-5
octanol

: 115-88-8
diphenyl hydrogenphosphate

Conditions

Conditions	Yield
With copper(l) iodide; sodium carbonate; triethylamine In tetrachloromethane at 80℃; for 12h;	82%

: 66910-83-6
2-octyloxy-benzooxazole

: 838-85-7
diphenyl hydrogen phosphate

: 115-88-8
diphenyl hydrogenphosphate

: 838-85-7
diphenyl hydrogen phosphate

: 111-87-5
octanol

: 623-20-1
ethyl (E)-3-(2-furyl)prop-2-enoate

A: 115-88-8
diphenyl hydrogenphosphate

B: 101100-85-0
(E)-3-Furan-2-yl-acrylic acid octyl ester

C: 10581-14-3
mono-octyl phenyl phosphoric acid

D: 140138-20-1
diphenyl 3-(2-furyl) acrylyl phosphate

Conditions

Conditions	Yield
potassium carbonate In dodecane for 3h; Product distribution; various cat.;

...Expand

: 838-85-7
diphenyl hydrogen phosphate

: 111-87-5
octanol

: 623-20-1
ethyl (E)-3-(2-furyl)prop-2-enoate

A: 115-88-8
diphenyl hydrogenphosphate

B: 101100-85-0
(E)-3-Furan-2-yl-acrylic acid octyl ester

C: 140138-20-1
diphenyl 3-(2-furyl) acrylyl phosphate

Conditions

Conditions	Yield
potassium carbonate at 143℃; for 3h;

...Expand

: 53121-41-8
octyl phosphorodichloridate

aqueous sodium phenolate solution: aqueous sodium phenolate solution

: 115-88-8
diphenyl hydrogenphosphate

: 111-87-5
octanol

: 115-88-8
diphenyl hydrogenphosphate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Et3N / CH2Cl2; petroleum ether / 30 h / Ambient temperature View Scheme

: 17049-49-9
octylmagnesium bromide

: 2524-64-3
chlorophosphoric acid diphenyl ester

: 115-88-8
diphenyl hydrogenphosphate

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 12h;

: 115-88-8
diphenyl hydrogenphosphate

: 53913-96-5
tert-butyl 2-(bromomethyl)acrylate

: 143238-83-9
tert-butyl 2-methyleneundecanoate

Conditions

Conditions	Yield
Yield given. Multistep reaction;

Phosphoric acid, octyldiphenyl ester Specification

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

Product Name

diphenyl octyl phosphate

Synthetic route

Phosphoric acid, octyldiphenyl ester Specification

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