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Tert-Butyl Titanate
CAS: 3087-39-6 | C4H10OTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3087-39-6
Molecular Formula:
C4H10OTi
Molecular Mass:
121.99 g/mol
Names and Synonyms:
Tert-Butyl Titanate
2-Propanol, 2-methyl-, titanium(4+) salt (4:1)
tert-Butyl alcohol, titanium(4+) salt
2-Propanol, 2-methyl-, titanium(4+) salt
tert-Butyl titanate(IV)
tert-Butyl titanate(IV) ((C4H9O)4Ti)
Tetra-tert-butyl titanate
Tetra-tert-butoxytitanium
Titanium tetrakis(tert-butoxide)
Titanium tert-butylate
tert-Butyl orthotitanate
Titanium tetra-tert-butoxide
Titanium(4+) tert-butoxide
Titanium tert-butoxide
Titanium(IV) tert-butoxide
Tetrakis(tert-butanolato)titanium
Titanium tetrakis(t-butoxide)
Titanium tetrakis(tert-butanolate)
t-Butanol titanium(4+) salt
Tetrakis(tert-butoxy)titanium
Titanium tetrakis(2-methyl-2-propoxide)
tert-Butyl titanate
tert-Butoxytitanium (IV)
Tetratertbutyl orthotitanate
Orgatix TA 80
Identifiers:
SMILES:
CC(C)(C)O.[Ti]
InChI:
InChI=1S/C4H10O.Ti/c1-4(2,3)5;/h5H,1-3H3;
Key Properties
Boiling Point
59-60 °C @ Press: 0.3 Torr
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 | 121.99 g/mol | CAS Common Chemistry |
| 121.98999999999998 g/mol | RDKit | |
| 122.02111124 g/mol | RDKit | |
| Boiling Point | 59-60 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | [Ti].OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O.Ti/c1-4(2,3)5;/h5H,1-3H3; | CAS Common Chemistry |
| InChI Key | InChIKey=LQYXNJNEDCJEGG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | tert-Butyl titanate | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 0.7746999999999999 | RDKit |
| Molar Refractivity | 21.971799999999995 | RDKit |
