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Aluminium Acetylacetonate
CAS: 13963-57-0 | C15H21AlO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13963-57-0
Molecular Formula:
C15H21AlO6
Molecular Mass:
324.31 g/mol
Names and Synonyms:
Aluminium Acetylacetonate
Triacetylacetonate aluminum
Aluminum, tris(2,4-pentanedionato-κO2,κO4)-, (OC-6-11)-
Aluminum, tris(2,4-pentanedionato)-
Aluminum, tris(2,4-pentanedionato-O,O′)-, (OC-6-11)-
Aluminum, tris(2,4-pentanedionato-κO,κO′)-, (OC-6-11)-
(OC-6-11)-Tris(2,4-pentanedionato-κO2,κO4)aluminum
Aluminum acetylacetonate
Tris(acetylacetonyl)aluminum
Tris(2,4-pentanedionato)aluminum
Tris(acetylacetonato)aluminum
Tris(acetylacetone)aluminum
Tris(2,4-pentanedione)aluminum
Dotite Al
Alumichelate A
Aluminum Chelate A
Nacem Aluminum
Tris(acetylacetonate)aluminum
AKA 080
Aluminum trisacetoacetate
Coponyl N 5792
NSC 4650
NSC 52330
Coponyl 5792
M 5A
Aluminum pentanedionate
Orgatix LA 80
Aluminum tris(2,4-pentadionate)
Al(III)-AA
A 033
TR 25D
A 1009
LD 805
A 1013R
AL 3100
Orgatix AL 3100
A 6
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Al+3]
InChI:
InChI=1S/3C5H7O2.Al/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/q3*-1;+3
Key Properties
Boiling Point
315 °C
CAS Common Chemistry
Melting Point
189 °C
CAS Common Chemistry
Density
1.21 g/cm³
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 | 324.31 g/mol | CAS Common Chemistry |
| 324.3090000000001 g/mol | RDKit | |
| 324.11535202199997 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.213 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_acetylacetonate | CAS Common Chemistry |
| Boiling Point | 315 °C | CAS Common Chemistry |
| Canonical SMILES | O1=C([CH-]C(=O[Al+3]123(O=C([CH-]C(=O2)C)C)O=C([CH-]C(=O3)C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/3C5H7O2.Al/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/q3*-1;+3 | CAS Common Chemistry |
| InChI Key | InChIKey=QWKOJPUROFIHOB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189 °C | CAS Common Chemistry |
| Name | Aluminum acetylacetonate | CAS Common Chemistry |
| Aluminium acetylacetonate | CAS Common Chemistry | |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 102.41999999999999 Ų | RDKit |
| LogP | 0.7252700000000001 | RDKit |
| Molar Refractivity | 82.74000000000004 | RDKit |
