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Molecule
Aluminum Distearate
CAS: 300-92-5 · C36H71AlO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 300-92-5
- Molecular Formula
- C36H71AlO5
- Molecular Mass
- 610.94 g/mol
Identifiers
CAS Registry Number
300-92-5
SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[OH-]
InChI Key
RDIVANOKKPKCTO-UHFFFAOYSA-K
InChI
InChI=1S/2C18H36O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;1H2/q;;+3;/p-3
Names and Synonyms
- Aluminum Distearate Synonym
- Aluminum, hydroxybis(octadecanoato-κO)- Synonym
- Aluminum, hydroxybis(stearato)- Synonym
- Aluminum, hydroxybis(octadecanoato-O)- Synonym
- Octadecanoic acid, aluminum complex Synonym
- Hydroxybis(octadecanoato-κO)aluminum Synonym
- Aluminum distearate Synonym
- Aluminum hydroxide distearate Synonym
- Aluminum hydroxydistearate Synonym
- NSC 522176 Synonym
- Al-St 102 Synonym
- Aluminum Stearate 600 Synonym
- ALG-D 2 Synonym
- Ligastar AL-D 2 Synonym
- Liga ALG-V Synonym
- Ligaster ALG-V Synonym
- Aluminum Distearate 600 Synonym
- Hydroxy aluminum distearate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 610.94 g/mol | CAS Common Chemistry |
| 610.9410000000006 g/mol | RDKit | |
| 610.941 g/mol | RDKit | |
| 616.989 g/mol | chempirical lib | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.009 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O[Al](O)OC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/2C18H36O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;1H2/q;;+3;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=RDIVANOKKPKCTO-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 145 °C | CAS Common Chemistry |
| Name | Aluminum distearate | CAS Common Chemistry |
| Heavy Atom Count | 42 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 32 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 110.25999999999999 Ų | RDKit |
| 110.26 Ų | RDKit | |
| LogP | 9.438000000000002 | RDKit |
| 9.438 | RDKit | |
| Molar Refractivity | 176.79579999999953 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9444 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 610.511689002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 610.94 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
