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Aluminium Triacetate
CAS: 139-12-8 | C2H4AlO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
139-12-8
Molecular Formula:
C2H4AlO2
Molecular Weight:
87.034 g/mol
Names and Synonyms:
Aluminium Triacetate
Common Name
Buro-Sol Concentrate
Synonym
Domeboro
Synonym
Aluminum acetate solution
Synonym
Burow's solution
Synonym
Aluminum(III) acetate
Synonym
Burow solution
Synonym
Aluminum triacetate
Synonym
Aluminium acetate
Synonym
Aluminum acetate
Synonym
Acetic acid, aluminum salt
Synonym
Acetic acid, aluminum salt (3:1)
Synonym
Identifiers:
SMILES:
CC(=O)O.[Al]
InChI:
InChI=1S/C2H4O2.Al/c1-2(3)4;/h1H3,(H,3,4);
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 87.034 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 87.002667998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.2899000000000001 | RDKit |
| molecular_mass | 87.03 g/mol | Legacy Database |
| density | 1.00 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Aluminium_triacetate None | Legacy Database |
| cas-canonical-smile | [Al].O=C(O)C None | Legacy Database |
| cas-density | 1.002 g/cm3 (approx) None | Legacy Database |
| cas-inchi | InChI=1S/C2H4O2.Al/c1-2(3)4;/h1H3,(H,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=HDOAYHNQJVFBOY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Aluminum acetate None | Legacy Database |
| wikipedia-name | Aluminium triacetate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.063799999999997 | RDKit |