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Molecule
Aluminium Isopropoxide
CAS: 555-31-7 · C3H8AlO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 555-31-7
- Molecular Formula
- C3H8AlO
- Molecular Mass
- 87.08 g/mol
Identifiers
CAS Registry Number
555-31-7
SMILES
CC(C)O.[Al]
InChI Key
XHODMTAOVMFHQJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O.Al/c1-3(2)4;/h3-4H,1-2H3;
Names and Synonyms
- Aluminium Isopropoxide Common Name
- 2-Propanol, aluminum salt (3:1) Synonym
- 2-Propanol, aluminum salt Synonym
- Isopropyl alcohol, aluminum salt Synonym
- Aluminum isopropoxide Synonym
- Aluminum isopropylate Synonym
- Aluminum triisopropoxide Synonym
- Triisopropoxyaluminum Synonym
- Aluminum triisopropylate Synonym
- Aliso Synonym
- Aluminum isopropanolate Synonym
- Aluminium isopropoxide Synonym
- Aluminum sec-propanolate Synonym
- Isopropanol aluminum salt Synonym
- Aluminum tris(sec-propoxide) Synonym
- Triisopropyloxyaluminum Synonym
- Tris(isopropoxy)aluminum Synonym
- Aluminum 2-propoxide Synonym
- Aluminum isopropoxide (1:3) Synonym
- Aluminum tris(isopropoxide) Synonym
- Aluminum isopropylate (Al(OC3H7)3) Synonym
- AIPD Synonym
- Aluminum(3+) isopropoxide Synonym
- Aluminum tris(iso-propoxide) Synonym
- Manalox 130 Synonym
- Triisopropyl aluminate Synonym
- PADM Synonym
- Aluminum tris(isopropylate) Synonym
- Aluminum isopropioate Synonym
- Tris(isopropanolato)aluminum Synonym
- SYM-AL 04 Synonym
- A 1010 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.08 g/mol | CAS Common Chemistry |
| 87.078 g/mol | RDKit | |
| 90.102 g/mol | chempirical lib | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_isopropoxide | CAS Common Chemistry |
| Canonical SMILES | [Al].OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O.Al/c1-3(2)4;/h3-4H,1-2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=XHODMTAOVMFHQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119 °C | CAS Common Chemistry |
| Name | Aluminum isopropoxide | 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 | 20.23 Ų | RDKit |
| LogP | 0.006300000000000028 | RDKit |
| 0.0063 | RDKit | |
| Molar Refractivity | 23.10879999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 87.039053506 g/mol | RDKit |
| Boiling Point | 94 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 87.08 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
