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Titanium Butoxide
CAS: 5593-70-4 | C4H10OTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5593-70-4
Molecular Formula:
C4H10OTi
Molecular Weight:
121.98999999999998 g/mol
Names and Synonyms:
Titanium Butoxide
1-Butanol, titanium(4+) salt (4:1)
Butyl alcohol, titanium(4+) salt
1-Butanol, titanium(4+) salt
Butyl titanate(IV)
Butyl titanate(IV) ((BuO)4Ti)
Titanium butoxide (Ti(OBu)4)
Titanium, tetrabutoxy-
Butyl orthotitanate
Titanium tetrabutoxide
Tetrabutoxytitanium
Titanium butoxide
Titanium tetrabutylate
Tetrabutyl orthotitanate
Tyzor TBT
Titanium(4+) butoxide
B 1
Orgatix TA 25
Tetra-n-butoxytitanium
Titanium n-butoxide
Titanium tetrakis(butoxide)
Titanium(IV) n-butoxide
Tetra-n-butyl titanate
Titanium tetra-n-butoxide
TBT 100
n-Butanol titanium salt
1-Butanol titanium salt (4:1)
Tetra-n-butyl orthotitanate
Titanium(IV) butoxide
TBT
Orgatix T 25
n-Butyl titanate
Tetrabutyl titanate
Tilcom TNBT
Tetrakis(butanolato)titanium
TA 25
Tetrabutoxytitanium(IV)
Vertec TNBT
Tyzor TNBT
TBT-B 1
AKT 850
Titanium tetrakis(1-butoxide)
Tyzor BTM
Tyzor TNTB
Titanium tetra-n-butylate
Orgatix TA 21
Tetrabutyl titantate
TA 21
Titanium tetrabutanolate
Tytan TNBT
TNBT
T 818870
Identifiers:
SMILES:
CCCCO.[Ti]
InChI:
InChI=1S/C4H10O.Ti/c1-2-3-4-5;/h5H,2-4H2,1H3;
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-density | 0.998 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H10O.Ti/c1-2-3-4-5;/h5H,2-4H2,1H3; None | Legacy Database |
| molecular_mass | 121.99 g/mol | Legacy Database |
| density | 1.00 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Titanium_butoxide None | Legacy Database |
| cas-boiling-point | 312 °C None | Legacy Database |
| cas-canonical-smile | [Ti].OCCCC None | Legacy Database |
| cas-inchi-key | InChIKey=KKSAZXGYGLKVSV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -55 °C None | Legacy Database |
| cas-name | Titanium tetrabutoxide None | Legacy Database |
| wikipedia-name | Titanium butoxide None | Legacy Database |
| LogP | 0.7763 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 121.98999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.02111124 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 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 | 21.993799999999997 | RDKit |
