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Molecule
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
Identifiers
CAS Registry Number
3087-36-3
SMILES
CCO.[Ti]
InChI Key
WLPSNBGDESCKIL-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O.Ti/c1-2-3;/h3H,2H2,1H3;
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 93.94 g/mol | CAS Common Chemistry |
| 93.989811112 g/mol | RDKit | |
| 93.936 g/mol | RDKit | |
| 95.952 g/mol | chempirical lib | |
| 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 |
| 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 |
| -0.0039 | RDKit | |
| Molar Refractivity | 12.759800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 93.936 g/mol | RDKit |
| Boiling Point | 122 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 93.94 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
