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Molecule
Monolauryl Phosphate
CAS: 2627-35-2 · C12H27O4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2627-35-2
- Molecular Formula
- C12H27O4P
- Molecular Mass
- 266.32 g/mol
Identifiers
CAS Registry Number
2627-35-2
SMILES
CCCCCCCCCCCCOP(=O)(O)O
InChI Key
TVACALAUIQMRDF-UHFFFAOYSA-N
InChI
InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
Names and Synonyms
- Monolauryl Phosphate Synonym
- Phosphoric acid, monododecyl ester Synonym
- Dodecyl phosphate ((C12H25O)(HO)2PO) Synonym
- Dodecyl acid phosphate Synonym
- Monolauryl phosphate Synonym
- Monododecyl phosphate Synonym
- Dihydrogen monolauryl phosphate Synonym
- Dodecyl dihydrogen phosphate Synonym
- Phosphoric acid monolauryl ester Synonym
- Mono-n-dodecyl phosphate Synonym
- n-Dodecyl phosphate Synonym
- Lauryl dihydrogen phosphate Synonym
- LauP Synonym
- n-Dodecanyl phosphate Synonym
- Miphos ML Synonym
- NSC 41919 Synonym
- Ethfac 102 Synonym
- Nikkol Phosten HLP Synonym
- Phosten HLP Synonym
- FAP 12 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.32 g/mol | CAS Common Chemistry |
| 266.3179999999999 g/mol | RDKit | |
| 266.318 g/mol | RDKit | |
| Canonical SMILES | O=P(O)(O)OCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=TVACALAUIQMRDF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68-70 °C | CAS Common Chemistry |
| Name | Monolauryl phosphate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 4.016600000000005 | RDKit |
| 4.0166 | RDKit | |
| 4.19 | chempirical lib | |
| Molar Refractivity | 69.84010000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 266.164695974 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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 = 266.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H27O4P.
