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Molecule
Titanium Butoxide
CAS: 5593-70-4 · C4H10OTi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5593-70-4
- Molecular Formula
- C4H10OTi
- Molecular Mass
- 121.99 g/mol
Identifiers
CAS Registry Number
5593-70-4
SMILES
CCCCO.[Ti]
InChI Key
KKSAZXGYGLKVSV-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O.Ti/c1-2-3-4-5;/h5H,2-4H2,1H3;
Names and Synonyms
- Titanium Butoxide Synonym
- 1-Butanol, titanium(4+) salt (4:1) Synonym
- Butyl alcohol, titanium(4+) salt Synonym
- 1-Butanol, titanium(4+) salt Synonym
- Butyl titanate(IV) Synonym
- Butyl titanate(IV) ((BuO)4Ti) Synonym
- Titanium butoxide (Ti(OBu)4) Synonym
- Titanium, tetrabutoxy- Synonym
- Butyl orthotitanate Synonym
- Titanium tetrabutoxide Synonym
- Tetrabutoxytitanium Synonym
- Titanium butoxide Synonym
- Titanium tetrabutylate Synonym
- Tetrabutyl orthotitanate Synonym
- Tyzor TBT Synonym
- Titanium(4+) butoxide Synonym
- B 1 Synonym
- Orgatix TA 25 Synonym
- Tetra-n-butoxytitanium Synonym
- Titanium n-butoxide Synonym
- Titanium tetrakis(butoxide) Synonym
- Titanium(IV) n-butoxide Synonym
- Tetra-n-butyl titanate Synonym
- Titanium tetra-n-butoxide Synonym
- TBT 100 Synonym
- n-Butanol titanium salt Synonym
- 1-Butanol titanium salt (4:1) Synonym
- Tetra-n-butyl orthotitanate Synonym
- Titanium(IV) butoxide Synonym
- TBT Synonym
- Orgatix T 25 Synonym
- n-Butyl titanate Synonym
- Tetrabutyl titanate Synonym
- Tilcom TNBT Synonym
- Tetrakis(butanolato)titanium Synonym
- TA 25 Synonym
- Tetrabutoxytitanium(IV) Synonym
- Vertec TNBT Synonym
- Tyzor TNBT Synonym
- TBT-B 1 Synonym
- AKT 850 Synonym
- Titanium tetrakis(1-butoxide) Synonym
- Tyzor BTM Synonym
- Tyzor TNTB Synonym
- Titanium tetra-n-butylate Synonym
- Orgatix TA 21 Synonym
- Tetrabutyl titantate Synonym
- TA 21 Synonym
- Titanium tetrabutanolate Synonym
- Tytan TNBT Synonym
- TNBT Synonym
- T 818870 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.99 g/mol | CAS Common Chemistry |
| 122.02111124 g/mol | RDKit | |
| 124.006 g/mol | chempirical lib | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.998 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium_butoxide | CAS Common Chemistry |
| Boiling Point | 312 °C | CAS Common Chemistry |
| Canonical SMILES | [Ti].OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O.Ti/c1-2-3-4-5;/h5H,2-4H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=KKSAZXGYGLKVSV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -55 °C | CAS Common Chemistry |
| Name | Titanium tetrabutoxide | CAS Common Chemistry |
| Titanium butoxide | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.7763 | RDKit |
| Molar Refractivity | 21.993799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 121.98999999999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 121.99 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
