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Aluminum Stearate
CAS: 637-12-7 | C18H36AlO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
637-12-7
Molecular Formula:
C18H36AlO2
Molecular Mass:
311.47 g/mol
Names and Synonyms:
Aluminum Stearate
Octadecanoic acid, aluminum salt (3:1)
Aluminum stearate
Stearic acid, aluminum salt
Octadecanoic acid, aluminum salt
Metasap XX
Tribasic aluminum stearate
Rofob 3
Aluminum stearate (1:3)
Alugel 34TN
Aluminium stearate
SA 1500
Aluminum tristearate
Aluminum(III) stearate
SA 1000
Alugel 44M
Thompson's Water Seal
Alugel 30DF
SA 2000
SA 100
SA 100 (stearate)
Daiwax WA 1
Arusute 30
Liga TR
Aluminum Stearate 900
Alugel 34TH
SA 1500 (stearate)
AL 103
Aluminum Tristearate 900
M 132HG
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)O.[Al]
InChI:
InChI=1S/C18H36O2.Al/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
118 °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 | 311.47 g/mol | CAS Common Chemistry |
| 311.4659999999999 g/mol | RDKit | |
| 311.253069022 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.070 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Al].O=C(O)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O2.Al/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=CNUTUZBKHPTSDA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118 °C | CAS Common Chemistry |
| Name | Aluminum 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 |
