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Molecule
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
- 421.8119999999999 g/mol
Identifiers
CAS Registry Number
6865-35-6
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.[Ba]
InChI Key
OTNKRKHMTFRPSK-UHFFFAOYSA-N
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);
Names and Synonyms
- Barium Stearate Common Name
- Octadecanoic acid, barium salt (2:1) Synonym
- Stearic acid, barium salt Synonym
- Octadecanoic acid, barium salt Synonym
- Barium stearate Synonym
- Barium distearate Synonym
- Stavinor 40 Synonym
- SB (stabilizer) Synonym
- SB Synonym
- Barium bis(stearate) Synonym
- BFI Synonym
- Baerostab 370 Synonym
- Ba-St Synonym
- Barium Stearate GF Synonym
- S 230 Synonym
- S 0235 Synonym
- St-Ba P Synonym
- Ba-St P Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.8119 g/cm3 @ 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 |
| Molecular Mass | 421.8119999999999 g/mol | RDKit |
| 422.176777592 g/mol | RDKit | |
| 421.812 g/mol | RDKit | |
| 423.827 g/mol | chempirical lib | |
| 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 | |
| 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 | 421.81 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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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 = 421.81 g/mol; density = 0.810 g/mL. Edit any field — others recompute live.
