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Molecule
2-Ethylhexyl Diphenyl Phosphate
CAS: 1241-94-7 · C20H27O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1241-94-7
- Molecular Formula
- C20H27O4P
- Molecular Mass
- 362.41 g/mol
Identifiers
CAS Registry Number
1241-94-7
SMILES
CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1
InChI Key
CGSLYBDCEGBZCG-UHFFFAOYSA-N
InChI
InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
Names and Synonyms
- 2-Ethylhexyl Diphenyl Phosphate Systematic Name
- Phosphoric acid, 2-ethylhexyl diphenyl ester Synonym
- Diphenyl 2-ethylhexyl phosphate Synonym
- 2-Ethylhexyl diphenyl phosphate Synonym
- Santicizer 141 Synonym
- Octicizer Synonym
- Phosflex 362 Synonym
- Disflamoll DPO Synonym
- Phosflex 342 Synonym
- EHDPP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 362.41 g/mol | CAS Common Chemistry |
| 362.40600000000006 g/mol | RDKit | |
| 362.406 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.090 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Ethylhexyl_diphenyl_phosphate | CAS Common Chemistry |
| Boiling Point | 375 °C | CAS Common Chemistry |
| Canonical SMILES | O=P(OC=1C=CC=CC1)(OC=2C=CC=CC2)OCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CGSLYBDCEGBZCG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -30 °C | CAS Common Chemistry |
| Name | 2-Ethylhexyl diphenyl phosphate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| 44.76 Ų | RDKit | |
| LogP | 6.485500000000006 | RDKit |
| 6.4855 | RDKit | |
| Molar Refractivity | 101.00450000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 362.164695974 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 362.41 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
