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Molecule
Di-(2-Ethylhexyl)Phosphoric Acid
CAS: 298-07-7 · C16H35O4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 298-07-7
- Molecular Formula
- C16H35O4P
- Molecular Mass
- 322.43 g/mol
Identifiers
CAS Registry Number
298-07-7
SMILES
CCCCC(CC)COP(=O)(O)OCC(CC)CCCC
InChI Key
SEGLCEQVOFDUPX-UHFFFAOYSA-N
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)
Names and Synonyms
- Di-(2-Ethylhexyl)Phosphoric Acid Synonym
- Phosphoric acid, bis(2-ethylhexyl) ester Synonym
- 1-Hexanol, 2-ethyl-, hydrogen phosphate Synonym
- Bis(2-ethylhexyl) phosphate Synonym
- Di(2-ethylhexyl)orthophosphoric acid Synonym
- 2-Ethyl-1-hexanol hydrogen phosphate Synonym
- HDEHP Synonym
- Di-2-ethylhexyl hydrogen phosphate Synonym
- Bis(2-ethylhexyl) hydrogen phosphate Synonym
- Bis(2-ethylhexyl) orthophosphate Synonym
- O,O-Bis(2-ethylhexyl)phosphoric acid Synonym
- O,O-Di(2-ethylhexyl)phosphoric acid Synonym
- Hydrogen bis(2-ethylhexyl) phosphate Synonym
- Di(2-ethylhexyl) phosphate Synonym
- D 2EHPA Synonym
- DP 8R Synonym
- P 204 (acid) Synonym
- P 204 Synonym
- LB 58 Synonym
- Hostarex PA 216 Synonym
- Phosphoric acid di(2-ethylhexyl) ester Synonym
- Orthophosphoric acid 2-ethylhexyl alcohol diester Synonym
- Di(2-ethylhexyl)phosphoric acid Synonym
- Dioctyl orthophosphate Synonym
- Dioctyl phosphate Synonym
- Dioctyl hydrogen phosphate Synonym
- DEHAP Synonym
- JB 58 Synonym
- HDEHPA Synonym
- TOPS 99 Synonym
- DP 8 Synonym
- A 208 (phosphate) Synonym
- A 208 Synonym
- Baysolvex D 2EHPA Synonym
- Phoslex A 208 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 322.43 g/mol | CAS Common Chemistry |
| 322.4260000000001 g/mol | RDKit | |
| 322.426 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.973 g/cm3 @ 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 |
| 55.76 Ų | RDKit | |
| LogP | 5.552800000000006 | RDKit |
| 5.5528 | RDKit | |
| 5.75 | chempirical lib | |
| Molar Refractivity | 88.34130000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 322.22729623000004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 322.43 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
