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Barium Stearate
CAS: 6865-35-6 | C18H36BaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6865-35-6
Molecular Formula:
C18H36BaO2
Molecular Mass:
421.81 g/mol
Names and Synonyms:
Barium Stearate
Octadecanoic acid, barium salt (2:1)
Stearic acid, barium salt
Octadecanoic acid, barium salt
Barium stearate
Barium distearate
Stavinor 40
SB (stabilizer)
SB
Barium bis(stearate)
BFI
Baerostab 370
Ba-St
Barium Stearate GF
S 230
S 0235
St-Ba P
Ba-St P
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)O.[Ba]
InChI:
InChI=1S/C18H36O2.Ba/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
Density
0.81 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 | 421.81 g/mol | CAS Common Chemistry |
| 421.8119999999999 g/mol | RDKit | |
| 422.176777592 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.8119 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Canonical SMILES | [Ba].O=C(O)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O2.Ba/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=OTNKRKHMTFRPSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium 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 |
