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Monolauryl Phosphate
CAS: 2627-35-2 | C12H27O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2627-35-2
Molecular Formula:
C12H27O4P
Molecular Mass:
266.32 g/mol
Names and Synonyms:
Monolauryl Phosphate
Phosphoric acid, monododecyl ester
Dodecyl phosphate ((C12H25O)(HO)2PO)
Dodecyl acid phosphate
Monolauryl phosphate
Monododecyl phosphate
Dihydrogen monolauryl phosphate
Dodecyl dihydrogen phosphate
Phosphoric acid monolauryl ester
Mono-n-dodecyl phosphate
n-Dodecyl phosphate
Lauryl dihydrogen phosphate
LauP
n-Dodecanyl phosphate
Miphos ML
NSC 41919
Ethfac 102
Nikkol Phosten HLP
Phosten HLP
FAP 12
Identifiers:
SMILES:
CCCCCCCCCCCCOP(=O)(O)O
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)
Key Properties
Melting Point
68-70 °C
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 | 266.32 g/mol | CAS Common Chemistry |
| 266.3179999999999 g/mol | RDKit | |
| 266.164695974 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 |
| Molar Refractivity | 69.84010000000005 | RDKit |
