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Titanium Ethoxide
CAS: 3087-36-3 | C2H6OTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3087-36-3
Molecular Formula:
C2H6OTi
Molecular Weight:
93.936 g/mol
Names and Synonyms:
Titanium Ethoxide
Synonym
Ethanol, titanium(4+) salt (4:1)
Synonym
Ethyl alcohol, titanium(4+) salt
Synonym
Ethyl titanate(IV)
Synonym
Ethanol, titanium(4+) salt
Synonym
Titanium ethoxide (Ti(OEt)4)
Synonym
Titanium, tetraethoxy-
Synonym
Tetraethyl titanate
Synonym
Tetraethoxytitanium
Synonym
Titanium tetraethoxide
Synonym
Ethyl titanate
Synonym
Titanium ethoxide
Synonym
Titanic acid ethyl ester
Synonym
Tetraethyl orthotitanate
Synonym
Tetraethyl titanate (Ti(OC2H5)4)
Synonym
Titanium(4+) ethoxide
Synonym
Titanium tetrakis(ethoxide)
Synonym
Titanium tetraethanolate
Synonym
Titanium(IV) ethoxide
Synonym
Titanium ethylate
Synonym
TEOT
Synonym
Tyzor ET
Synonym
Tetrakis(ethanolato)titanium
Synonym
Identifiers:
SMILES:
CCO.[Ti]
InChI:
InChI=1S/C2H6O.Ti/c1-2-3;/h3H,2H2,1H3;
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 | 93.936 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 93.989811112 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 | -0.0039000000000000146 | RDKit |
| molecular_mass | 93.94 g/mol | Legacy Database |
| density | 1.11 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Titanium_ethoxide None | Legacy Database |
| cas-boiling-point | 122 °C @ Press: 1 Torr None | Legacy Database |
| cas-canonical-smile | [Ti].OCC None | Legacy Database |
| cas-density | 1.107 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2H6O.Ti/c1-2-3;/h3H,2H2,1H3; None | Legacy Database |
| cas-inchi-key | InChIKey=WLPSNBGDESCKIL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 38 °C None | Legacy Database |
| cas-name | Titanium ethoxide None | Legacy Database |
| wikipedia-name | Titanium ethoxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.759800000000002 | RDKit |