Back to Search
Molecule
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
Identifiers
CAS Registry Number
637-12-7
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.[Al]
InChI Key
CNUTUZBKHPTSDA-UHFFFAOYSA-N
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);
Names and Synonyms
- Aluminum Stearate Common Name
- Octadecanoic acid, aluminum salt (3:1) Synonym
- Aluminum stearate Synonym
- Stearic acid, aluminum salt Synonym
- Octadecanoic acid, aluminum salt Synonym
- Metasap XX Synonym
- Tribasic aluminum stearate Synonym
- Rofob 3 Synonym
- Aluminum stearate (1:3) Synonym
- Alugel 34TN Synonym
- Aluminium stearate Synonym
- SA 1500 Synonym
- Aluminum tristearate Synonym
- Aluminum(III) stearate Synonym
- SA 1000 Synonym
- Alugel 44M Synonym
- Thompson's Water Seal Synonym
- Alugel 30DF Synonym
- SA 2000 Synonym
- SA 100 Synonym
- SA 100 (stearate) Synonym
- Daiwax WA 1 Synonym
- Arusute 30 Synonym
- Liga TR Synonym
- Aluminum Stearate 900 Synonym
- Alugel 34TH Synonym
- SA 1500 (stearate) Synonym
- AL 103 Synonym
- Aluminum Tristearate 900 Synonym
- M 132HG Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 311.47 g/mol | CAS Common Chemistry |
| 311.4659999999999 g/mol | RDKit | |
| 311.466 g/mol | RDKit | |
| 314.49 g/mol | chempirical lib | |
| 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 |
| 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 | 311.253069022 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 311.47 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
