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Molecule
Aluminium Monostearate
CAS: 7047-84-9 · C18H37AlO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7047-84-9
- Molecular Formula
- C18H37AlO4
- Molecular Mass
- 344.47 g/mol
Identifiers
CAS Registry Number
7047-84-9
SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[OH-].[OH-]
InChI Key
UGMCXQCYOVCMTB-UHFFFAOYSA-K
InChI
InChI=1S/C18H36O2.Al.2H2O/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);;2*1H2/q;+3;;/p-3
Names and Synonyms
- Aluminium Monostearate Common Name
- Aluminum, dihydroxy(octadecanoato-κO)- Synonym
- Aluminum, dihydroxy(stearato)- Synonym
- Aluminum, dihydroxy(octadecanoato-O)- Synonym
- Octadecanoic acid, aluminum complex Synonym
- Dihydroxy(octadecanoato-κO)aluminum Synonym
- Aluminum monostearate Synonym
- Dihydroxyaluminum stearate Synonym
- Aluminum dihydroxide stearate Synonym
- Dibasic aluminum stearate Synonym
- Al-St 103 Synonym
- Aluminum Stearate 300 Synonym
- Aluminum Monostearate 300 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 344.47 g/mol | CAS Common Chemistry |
| 344.472 g/mol | RDKit | |
| 350.52 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_monostearate | CAS Common Chemistry |
| Canonical SMILES | O=C(O[Al](O)O)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O2.Al.2H2O/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);;2*1H2/q;+3;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=UGMCXQCYOVCMTB-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 155 °C | CAS Common Chemistry |
| Name | Aluminum monostearate | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.13 Ų | RDKit |
| LogP | 4.2634000000000025 | RDKit |
| 4.2634 | RDKit | |
| Molar Refractivity | 94.17860000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9444 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 344.25072329399995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 344.47 g/mol. Edit any field — others recompute live.
