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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
Names and Synonyms:
Aluminum Distearate
Aluminum, hydroxybis(octadecanoato-κO)-
Aluminum, hydroxybis(stearato)-
Aluminum, hydroxybis(octadecanoato-O)-
Octadecanoic acid, aluminum complex
Hydroxybis(octadecanoato-κO)aluminum
Aluminum distearate
Aluminum hydroxide distearate
Aluminum hydroxydistearate
NSC 522176
Al-St 102
Aluminum Stearate 600
ALG-D 2
Ligastar AL-D 2
Liga ALG-V
Ligaster ALG-V
Aluminum Distearate 600
Hydroxy aluminum distearate
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[OH-]
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
Key Properties
Melting Point
145 °C
CAS Common Chemistry
Density
1.01 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 | 610.94 g/mol | CAS Common Chemistry |
| 610.9410000000006 g/mol | RDKit | |
| 610.511689002 g/mol | RDKit | |
| 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 |
| LogP | 9.438000000000002 | RDKit |
| Molar Refractivity | 176.79579999999953 | RDKit |
