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Molecule
Potassium Stearate
CAS: 593-29-3 · C18H36KO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 593-29-3
- Molecular Formula
- C18H36KO2
- Molecular Mass
- 323.58 g/mol
Identifiers
CAS Registry Number
593-29-3
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.[K]
InChI Key
NCBSCJZMOPNGSI-UHFFFAOYSA-N
InChI
InChI=1S/C18H36O2.K/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
- Potassium Stearate Synonym
- Octadecanoic acid, potassium salt (1:1) Synonym
- Stearic acid, potassium salt Synonym
- Octadecanoic acid, potassium salt Synonym
- Potassium octadecanoate Synonym
- Potassium stearate Synonym
- Steadan 300 Synonym
- Potassium n-octadecanoate Synonym
- SPO 100 Synonym
- Rexanol Synonym
- Nonsoul SK 1 Synonym
- Nonsoul MK 2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.58 g/mol | CAS Common Chemistry |
| 323.58199999999994 g/mol | RDKit | |
| 323.582 g/mol | RDKit | |
| 324.59 g/mol | chempirical lib | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.12 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_stearate | CAS Common Chemistry |
| Canonical SMILES | [K].O=C(O)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O2.K/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=NCBSCJZMOPNGSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium 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 | 323.235237072 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 = 323.58 g/mol; density = 1.120 g/mL. Edit any field — others recompute live.
