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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 Mass:
93.94 g/mol
Names and Synonyms:
Titanium Ethoxide
Ethanol, titanium(4+) salt (4:1)
Ethyl alcohol, titanium(4+) salt
Ethyl titanate(IV)
Ethanol, titanium(4+) salt
Titanium ethoxide (Ti(OEt)4)
Titanium, tetraethoxy-
Tetraethyl titanate
Tetraethoxytitanium
Titanium tetraethoxide
Ethyl titanate
Titanium ethoxide
Titanic acid ethyl ester
Tetraethyl orthotitanate
Tetraethyl titanate (Ti(OC2H5)4)
Titanium(4+) ethoxide
Titanium tetrakis(ethoxide)
Titanium tetraethanolate
Titanium(IV) ethoxide
Titanium ethylate
TEOT
Tyzor ET
Tetrakis(ethanolato)titanium
Identifiers:
SMILES:
CCO.[Ti]
InChI:
InChI=1S/C2H6O.Ti/c1-2-3;/h3H,2H2,1H3;
Key Properties
Boiling Point
122 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
38 °C
CAS Common Chemistry
Density
1.11 g/cm³
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 | 93.94 g/mol | CAS Common Chemistry |
| 93.936 g/mol | RDKit | |
| 93.989811112 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.107 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium_ethoxide | CAS Common Chemistry |
| Boiling Point | 122 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | [Ti].OCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O.Ti/c1-2-3;/h3H,2H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=WLPSNBGDESCKIL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 38 °C | CAS Common Chemistry |
| Name | Titanium ethoxide | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | -0.0039000000000000146 | RDKit |
| Molar Refractivity | 12.759800000000002 | RDKit |
