Back to Search
Di-(2-Ethylhexyl)Phosphoric Acid
CAS: 298-07-7 | C16H35O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
298-07-7
Molecular Formula:
C16H35O4P
Molecular Mass:
322.43 g/mol
Names and Synonyms:
Di-(2-Ethylhexyl)Phosphoric Acid
Phosphoric acid, bis(2-ethylhexyl) ester
1-Hexanol, 2-ethyl-, hydrogen phosphate
Bis(2-ethylhexyl) phosphate
Di(2-ethylhexyl)orthophosphoric acid
2-Ethyl-1-hexanol hydrogen phosphate
HDEHP
Di-2-ethylhexyl hydrogen phosphate
Bis(2-ethylhexyl) hydrogen phosphate
Bis(2-ethylhexyl) orthophosphate
O,O-Bis(2-ethylhexyl)phosphoric acid
O,O-Di(2-ethylhexyl)phosphoric acid
Hydrogen bis(2-ethylhexyl) phosphate
Di(2-ethylhexyl) phosphate
D 2EHPA
DP 8R
P 204 (acid)
P 204
LB 58
Hostarex PA 216
Phosphoric acid di(2-ethylhexyl) ester
Orthophosphoric acid 2-ethylhexyl alcohol diester
Di(2-ethylhexyl)phosphoric acid
Dioctyl orthophosphate
Dioctyl phosphate
Dioctyl hydrogen phosphate
DEHAP
JB 58
HDEHPA
TOPS 99
DP 8
A 208 (phosphate)
A 208
Baysolvex D 2EHPA
Phoslex A 208
Identifiers:
SMILES:
CCCCC(CC)COP(=O)(O)OCC(CC)CCCC
InChI:
InChI=1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)
Key Properties
Melting Point
-50 °C
CAS Common Chemistry
Density
0.97 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 322.43 g/mol | CAS Common Chemistry |
| 322.4260000000001 g/mol | RDKit | |
| 322.22729623000004 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.973 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Di-(2-ethylhexyl)phosphoric_acid | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(OCC(CC)CCCC)OCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=SEGLCEQVOFDUPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -50 °C | CAS Common Chemistry |
| Name | Bis(2-ethylhexyl) phosphate | CAS Common Chemistry |
| Di-(2-ethylhexyl)phosphoric acid | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.760000000000005 Ų | RDKit |
| LogP | 5.552800000000006 | RDKit |
| Molar Refractivity | 88.34130000000006 | RDKit |
