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Aluminium Isopropoxide
CAS: 555-31-7 | C3H8AlO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
555-31-7
Molecular Formula:
C3H8AlO
Molecular Weight:
87.078 g/mol
Names and Synonyms:
Aluminium Isopropoxide
Common Name
A 1010
Synonym
SYM-AL 04
Synonym
Tris(isopropanolato)aluminum
Synonym
Aluminum isopropioate
Synonym
Aluminum tris(isopropylate)
Synonym
PADM
Synonym
Triisopropyl aluminate
Synonym
Manalox 130
Synonym
Aluminum tris(iso-propoxide)
Synonym
Aluminum(3+) isopropoxide
Synonym
AIPD
Synonym
Aluminum isopropylate (Al(OC3H7)3)
Synonym
Aluminum tris(isopropoxide)
Synonym
Aluminum isopropoxide (1:3)
Synonym
Aluminum 2-propoxide
Synonym
Tris(isopropoxy)aluminum
Synonym
Triisopropyloxyaluminum
Synonym
Aluminum tris(sec-propoxide)
Synonym
Isopropanol aluminum salt
Synonym
Aluminum sec-propanolate
Synonym
Aluminium isopropoxide
Synonym
Aluminum isopropanolate
Synonym
Aliso
Synonym
Aluminum triisopropylate
Synonym
Triisopropoxyaluminum
Synonym
Aluminum triisopropoxide
Synonym
Aluminum isopropylate
Synonym
Aluminum isopropoxide
Synonym
Isopropyl alcohol, aluminum salt
Synonym
2-Propanol, aluminum salt
Synonym
2-Propanol, aluminum salt (3:1)
Synonym
Identifiers:
SMILES:
CC(C)O.[Al]
InChI:
InChI=1S/C3H8O.Al/c1-3(2)4;/h3-4H,1-2H3;
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 | 87.078 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 87.039053506 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 | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.006300000000000028 | RDKit |
| molecular_mass | 87.08 g/mol | Legacy Database |
| density | 1.03 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Aluminium_isopropoxide None | Legacy Database |
| cas-boiling-point | 94 °C @ Press: 0.5 Torr None | Legacy Database |
| cas-canonical-smile | [Al].OC(C)C None | Legacy Database |
| cas-density | 1.025 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H8O.Al/c1-3(2)4;/h3-4H,1-2H3; None | Legacy Database |
| cas-inchi-key | InChIKey=XHODMTAOVMFHQJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 119 °C None | Legacy Database |
| cas-name | Aluminum isopropoxide None | Legacy Database |
| wikipedia-name | Aluminium isopropoxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.10879999999999 | RDKit |