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Molecule
Titanium Isopropoxide
CAS: 546-68-9 · C3H8OTi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 546-68-9
- Molecular Formula
- C3H8OTi
- Molecular Mass
- 107.963 g/mol
Identifiers
CAS Registry Number
546-68-9
SMILES
CC(C)O.[Ti]
InChI Key
LMCBEWMQFKWHGU-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O.Ti/c1-3(2)4;/h3-4H,1-2H3;
Names and Synonyms
- Titanium Isopropoxide Common Name
- 2-Propanol, titanium(4+) salt (4:1) Synonym
- Isopropyl alcohol, titanium(4+) salt Synonym
- Titanium isopropoxide (Ti(OC3H7)4) Synonym
- 2-Propanol, titanium(4+) salt Synonym
- Tetraisopropyl titanate Synonym
- Isopropyl titanate(IV) ((C3H7O)4Ti) Synonym
- Tetrakis(isopropoxy)titanium Synonym
- Titanium, tetrakis(1-methylethoxy)- Synonym
- Titanium tetraisopropylate Synonym
- Tetraisopropyl orthotitanate Synonym
- Titanium(4+) isopropoxide Synonym
- Tetraisopropoxytitanium Synonym
- Titanium isopropylate Synonym
- Isopropyl orthotitanate Synonym
- Titanium tetraisopropoxide Synonym
- Titanium tetrakis(isopropoxide) Synonym
- Titanium(IV) isopropoxide Synonym
- Tyzor TPT Synonym
- Tetrakis(isopropyloxy)titanium Synonym
- TPT Synonym
- Titanium isopropoxide Synonym
- A 1 (titanate) Synonym
- A 1 Synonym
- Orgatix TA 10 Synonym
- Titanium tetrakis(iso-propoxide) Synonym
- Tetraisopropanolatotitanium Synonym
- Tetrakis(isopropylato)titanium(IV) Synonym
- Tilcom TIPT Synonym
- Tetrakis(isopropanolato)titanium Synonym
- TA 10 Synonym
- Tetraisopropoxytitanium(IV) Synonym
- 5N (titanate) Synonym
- 5N Synonym
- Vertec TIPT Synonym
- AKT 872 Synonym
- TPTA 1 Synonym
- Bistrater H-NDH 510C Synonym
- NDH 510C Synonym
- TIPT Synonym
- Vertec XL 110 Synonym
- Vertec RJCE Synonym
- Vertec XI 900 Synonym
- Titanium(IV) isoproproxide Synonym
- Orgatix TA 8 Synonym
- Tetrakis(isopropoxide)titanium Synonym
- JTW-TPT Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9711 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium_isopropoxide | CAS Common Chemistry |
| Canonical SMILES | [Ti].OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O.Ti/c1-3(2)4;/h3-4H,1-2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=LMCBEWMQFKWHGU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20 °C (approx) | CAS Common Chemistry |
| Name | Titanium isopropoxide | CAS Common Chemistry |
| Molecular Mass | 107.963 g/mol | RDKit |
| 108.005461176 g/mol | RDKit | |
| 109.979 g/mol | chempirical lib | |
| 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 | 0.3846 | RDKit |
| Molar Refractivity | 17.354800000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 107.96 g/mol | CAS Common Chemistry |
| Boiling Point | 220 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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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 = 107.96 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H8OTi.
