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Sodium Oleate
CAS: 143-19-1 | C18H34NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
143-19-1
Molecular Formula:
C18H34NaO2
Molecular Mass:
305.46 g/mol
Names and Synonyms:
Sodium Oleate
9-Octadecenoic acid (9Z)-, sodium salt (1:1)
Oleic acid, sodium salt
9-Octadecenoic acid (Z)-, sodium salt
9-Octadecenoic acid (9Z)-, sodium salt
Eunatrol
Olate Flakes
Sodium oleate
Pionin D 951P
NPS Red Oil Soap
Nonsoul ON 1
Lunac SO 90L
Nonsoul ON-A
Pionin A 5
Edenor OL 72MY, sodium salt
Ligaphob NT 90
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)O.[Na]
InChI:
InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/b10-9-;
Key Properties
Melting Point
232-235 °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 | 305.46 g/mol | CAS Common Chemistry |
| 305.4579999999999 g/mol | RDKit | |
| 305.245649608 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)CCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/b10-9-; | CAS Common Chemistry |
| InChI Key | InChIKey=ZQCUDFIHJAXGTP-KVVVOXFISA-N | CAS Common Chemistry |
| Melting Point | 232-235 °C | CAS Common Chemistry |
| Name | Sodium oleate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 5.727700000000006 | RDKit |
| Molar Refractivity | 92.84180000000006 | RDKit |
