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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
Names and Synonyms:
Sodium Stearate
Octadecanoic acid, sodium salt (1:1)
Stearic acid, sodium salt
Octadecanoic acid, sodium salt
Flexichem B
Prodhygine
Sodium stearate
Sodium octadecanoate
Bonderlube 235
AFCO-Chem B 65
Nonsoul SN 1
SS 40N
C-Lube 10
Serfax MT 90
Edenor FHTI
SNA 2000
AFCO-Chem NA
SK 1
Nonsoul SN 15
Bonderlube 234
Rhenogran NAST 50ACMF-GE1858
SN 1
Daiwax NA
C 18-98/100MY, sodium salt
Ligastar NA-R/D
Nonsoul SN 1W1
SS 100
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)O.[Na]
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);
Key Properties
Melting Point
270 °C
CAS Common Chemistry
Density
1.07 g/cm³
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 | 307.47 g/mol | CAS Common Chemistry |
| 307.47399999999993 g/mol | RDKit | |
| 307.261299672 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 92.93580000000007 | RDKit |
