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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
Names and Synonyms:
Aluminium Monostearate
Aluminum, dihydroxy(octadecanoato-κO)-
Aluminum, dihydroxy(stearato)-
Aluminum, dihydroxy(octadecanoato-O)-
Octadecanoic acid, aluminum complex
Dihydroxy(octadecanoato-κO)aluminum
Aluminum monostearate
Dihydroxyaluminum stearate
Aluminum dihydroxide stearate
Dibasic aluminum stearate
Al-St 103
Aluminum Stearate 300
Aluminum Monostearate 300
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[OH-].[OH-]
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
Key Properties
Melting Point
155 °C
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 | 344.47 g/mol | CAS Common Chemistry |
| 344.472 g/mol | RDKit | |
| 344.25072329399995 g/mol | RDKit | |
| 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 |
| Aluminium 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 |
| Molar Refractivity | 94.17860000000006 | RDKit |
