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Molecule
2-Ethylhexyl Phosphate
CAS: 12645-31-7 · C8H21O5P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12645-31-7
- Molecular Formula
- C8H21O5P
- Molecular Mass
- 228.23 g/mol
Identifiers
CAS Registry Number
12645-31-7
SMILES
CCCCC(CC)CO.O=P(O)(O)O
InChI Key
FZQYZMODYSBPES-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O.H3O4P/c1-3-5-6-8(4-2)7-9;1-5(2,3)4/h8-9H,3-7H2,1-2H3;(H3,1,2,3,4)
Names and Synonyms
- 2-Ethylhexyl Phosphate Systematic Name
- 2EHAPO4 Synonym
- Phoslex A 8 Synonym
- Beycostat A 081 Synonym
- Phosphoric acid, 2-ethylhexyl ester Synonym
- 2-Ethylhexyl phosphate Synonym
- 2-Ethylhexyl acid phosphate Synonym
- Hordaphos MDAH Synonym
- JP 508 Synonym
- Sipophos 2EHP Synonym
- AP 8 Synonym
- AP 8 (phosphate) Synonym
- Maphos 10T Synonym
- Servoxyl VPTZ 100 Synonym
- Hostaphat MDAH Synonym
- Servoxyl VPDZ 100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.23 g/mol | CAS Common Chemistry |
| 228.225 g/mol | RDKit | |
| Canonical SMILES | O=P(O)(O)O.OCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O.H3O4P/c1-3-5-6-8(4-2)7-9;1-5(2,3)4/h8-9H,3-7H2,1-2H3;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=FZQYZMODYSBPES-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethylhexyl phosphate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 97.99000000000001 Ų | RDKit |
| 97.99 Ų | RDKit | |
| LogP | 1.2664999999999997 | RDKit |
| 1.2665 | RDKit | |
| Molar Refractivity | 54.65470000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 228.11266040200002 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 |
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200 ppm
180
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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 = 228.23 g/mol. Edit any field — others recompute live.
