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Molecule
Aluminium Triethoxide
CAS: 555-75-9 · C2H6AlO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 555-75-9
- Molecular Formula
- C2H6AlO
- Molecular Mass
- 73.05 g/mol
Identifiers
CAS Registry Number
555-75-9
SMILES
CCO.[Al]
InChI Key
LIYILTXDOBZLIO-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O.Al/c1-2-3;/h3H,2H2,1H3;
Names and Synonyms
- Aluminium Triethoxide Common Name
- Ethanol, aluminum salt (3:1) Synonym
- Aluminum ethoxide Synonym
- Ethyl alcohol, aluminum salt Synonym
- Ethanol, aluminum salt Synonym
- Aluminum ethylate Synonym
- Triethoxyaluminum Synonym
- Aluminum triethoxide Synonym
- Aluminum triethylate Synonym
- Tris(ethanolato)aluminum Synonym
- Aluminum ethanolate Synonym
- Aluminum, triethoxy- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.05 g/mol | CAS Common Chemistry |
| 73.051 g/mol | RDKit | |
| 76.075 g/mol | chempirical lib | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.142 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_triethoxide | CAS Common Chemistry |
| Canonical SMILES | [Al].OCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O.Al/c1-2-3;/h3H,2H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=LIYILTXDOBZLIO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 157-159 °C | CAS Common Chemistry |
| Name | Aluminum ethoxide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.38220000000000004 | RDKit |
| -0.3822 | RDKit | |
| Molar Refractivity | 18.5138 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 73.023403442 g/mol | RDKit |
| Boiling Point | 175-180 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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Quick conversion
MW = 73.05 g/mol; density = 1.140 g/mL. Edit any field — others recompute live.
