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Titanium Isopropoxide
CAS: 546-68-9 | C3H8OTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
546-68-9
Molecular Formula:
C3H8OTi
Molecular Weight:
107.963 g/mol
Names and Synonyms:
Titanium Isopropoxide
Common Name
JTW-TPT
Synonym
Tetrakis(isopropoxide)titanium
Synonym
Orgatix TA 8
Synonym
Titanium(IV) isoproproxide
Synonym
Vertec XI 900
Synonym
Vertec RJCE
Synonym
Vertec XL 110
Synonym
TIPT
Synonym
NDH 510C
Synonym
Bistrater H-NDH 510C
Synonym
TPTA 1
Synonym
AKT 872
Synonym
Vertec TIPT
Synonym
5N
Synonym
5N (titanate)
Synonym
Tetraisopropoxytitanium(IV)
Synonym
TA 10
Synonym
Tetrakis(isopropanolato)titanium
Synonym
Tilcom TIPT
Synonym
Tetrakis(isopropylato)titanium(IV)
Synonym
Tetraisopropanolatotitanium
Synonym
Titanium tetrakis(iso-propoxide)
Synonym
Orgatix TA 10
Synonym
A 1
Synonym
A 1 (titanate)
Synonym
Titanium isopropoxide
Synonym
TPT
Synonym
Tetrakis(isopropyloxy)titanium
Synonym
Tyzor TPT
Synonym
Titanium(IV) isopropoxide
Synonym
Titanium tetrakis(isopropoxide)
Synonym
Titanium tetraisopropoxide
Synonym
Isopropyl orthotitanate
Synonym
Titanium isopropylate
Synonym
Tetraisopropoxytitanium
Synonym
Titanium(4+) isopropoxide
Synonym
Tetraisopropyl orthotitanate
Synonym
Titanium tetraisopropylate
Synonym
Titanium, tetrakis(1-methylethoxy)-
Synonym
Tetrakis(isopropoxy)titanium
Synonym
Isopropyl titanate(IV) ((C3H7O)4Ti)
Synonym
Tetraisopropyl titanate
Synonym
2-Propanol, titanium(4+) salt
Synonym
Titanium isopropoxide (Ti(OC3H7)4)
Synonym
Isopropyl alcohol, titanium(4+) salt
Synonym
2-Propanol, titanium(4+) salt (4:1)
Synonym
Identifiers:
SMILES:
CC(C)O.[Ti]
InChI:
InChI=1S/C3H8O.Ti/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 107.96 g/mol | Legacy Database |
| density | 0.97 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Titanium_isopropoxide None | Legacy Database |
| cas-canonical-smile | [Ti].OC(C)C None | Legacy Database |
| cas-boiling-point | 220 °C @ Press: 760 Torr None | Legacy Database |
| cas-density | 0.9711 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H8O.Ti/c1-3(2)4;/h3-4H,1-2H3; None | Legacy Database |
| cas-inchi-key | InChIKey=LMCBEWMQFKWHGU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 20 °C (approx) None | Legacy Database |
| cas-name | Titanium isopropoxide None | Legacy Database |
| wikipedia-name | Titanium isopropoxide None | Legacy Database |
| LogP | 0.3846 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 107.963 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 108.005461176 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.354800000000004 | RDKit |