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Molecule
Aluminium Triacetate
CAS: 139-12-8 · C2H4AlO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 139-12-8
- Molecular Formula
- C2H4AlO2
- Molecular Mass
- 87.03 g/mol
Identifiers
CAS Registry Number
139-12-8
SMILES
CC(=O)O.[Al]
InChI Key
HDOAYHNQJVFBOY-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Al/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Aluminium Triacetate Common Name
- Acetic acid, aluminum salt (3:1) Synonym
- Acetic acid, aluminum salt Synonym
- Aluminum acetate Synonym
- Aluminium acetate Synonym
- Aluminum triacetate Synonym
- Burow solution Synonym
- Aluminum(III) acetate Synonym
- Burow's solution Synonym
- Aluminum acetate solution Synonym
- Domeboro Synonym
- Buro-Sol Concentrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.03 g/mol | CAS Common Chemistry |
| 87.034 g/mol | RDKit | |
| 90.058 g/mol | chempirical lib | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.002 g/cm3 (approx) | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_triacetate | CAS Common Chemistry |
| Canonical SMILES | [Al].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Al/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=HDOAYHNQJVFBOY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum acetate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.2899000000000001 | RDKit |
| -0.2899 | RDKit | |
| Molar Refractivity | 19.063799999999997 cm³/mol | RDKit |
| Formal Charge | 0 | RDKit |
| Ring Count | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 87.002667998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 87.03 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
