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Molecule
Sodium Stearate
CAS: 822-16-2 · C18H36NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 822-16-2
- Molecular Formula
- C18H36NaO2
- Molecular Mass
- 307.47 g/mol
Identifiers
CAS Registry Number
822-16-2
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.[Na]
InChI Key
XRRONFCBYFZWTM-UHFFFAOYSA-N
InChI
InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);
Names and Synonyms
- Sodium Stearate Synonym
- Octadecanoic acid, sodium salt (1:1) Synonym
- Stearic acid, sodium salt Synonym
- Octadecanoic acid, sodium salt Synonym
- Flexichem B Synonym
- Prodhygine Synonym
- Sodium stearate Synonym
- Sodium octadecanoate Synonym
- Bonderlube 235 Synonym
- AFCO-Chem B 65 Synonym
- Nonsoul SN 1 Synonym
- SS 40N Synonym
- C-Lube 10 Synonym
- Serfax MT 90 Synonym
- Edenor FHTI Synonym
- SNA 2000 Synonym
- AFCO-Chem NA Synonym
- SK 1 Synonym
- Nonsoul SN 15 Synonym
- Bonderlube 234 Synonym
- Rhenogran NAST 50ACMF-GE1858 Synonym
- SN 1 Synonym
- Daiwax NA Synonym
- C 18-98/100MY, sodium salt Synonym
- Ligastar NA-R/D Synonym
- Nonsoul SN 1W1 Synonym
- SS 100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.47 g/mol | CAS Common Chemistry |
| 307.47399999999993 g/mol | RDKit | |
| 307.474 g/mol | RDKit | |
| 308.482 g/mol | chempirical lib | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.07 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_stearate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C(O)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20); | CAS Common Chemistry |
| InChI Key | InChIKey=XRRONFCBYFZWTM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 270 °C | CAS Common Chemistry |
| Name | Sodium stearate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 5.951700000000006 | RDKit |
| 5.9517 | RDKit | |
| 6.51 | chempirical lib | |
| Molar Refractivity | 92.93580000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9444 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 307.261299672 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 307.47 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
