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Molecule
Aluminum Tributoxide
CAS: 3085-30-1 · C4H10AlO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3085-30-1
- Molecular Formula
- C4H10AlO
- Molecular Mass
- 101.10 g/mol
Identifiers
CAS Registry Number
3085-30-1
SMILES
CCCCO.[Al]
InChI Key
DCUWYKMIVILRGQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O.Al/c1-2-3-4-5;/h5H,2-4H2,1H3;
Names and Synonyms
- Aluminum Tributoxide Synonym
- 1-Butanol, aluminum salt (3:1) Synonym
- Aluminum butoxide Synonym
- Butyl alcohol, aluminum salt Synonym
- 1-Butanol, aluminum salt Synonym
- Tributoxyaluminum Synonym
- Aluminum tributoxide Synonym
- Aluminum butylate Synonym
- Aluminum tributylate Synonym
- Tris(butoxy)aluminum Synonym
- Tributyl aluminate Synonym
- Aluminum n-butylate Synonym
- Aluminum n-butoxide Synonym
- Aluminum tributoxide (Al(OBu)3) Synonym
- Aluminum butanolate Synonym
- AKA 020 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.10 g/mol | CAS Common Chemistry |
| 101.10499999999999 g/mol | RDKit | |
| 101.105 g/mol | RDKit | |
| 104.129 g/mol | chempirical lib | |
| Canonical SMILES | [Al].OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O.Al/c1-2-3-4-5;/h5H,2-4H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=DCUWYKMIVILRGQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 102 °C | CAS Common Chemistry |
| Name | Aluminum tributoxide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.39799999999999996 | RDKit |
| 0.398 | RDKit | |
| Molar Refractivity | 27.747799999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 101.05470357 g/mol | RDKit |
| Boiling Point | 242 °C @ 0.7 Torr | CAS Common Chemistry |
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
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MW = 101.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10AlO.
