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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 Mass:
121.99 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;
Key Properties
Boiling Point
312 °C
CAS Common Chemistry
Melting Point
-55 °C
CAS Common Chemistry
Density
1.00 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 | 121.99 g/mol | CAS Common Chemistry |
| 121.98999999999998 g/mol | RDKit | |
| 122.02111124 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.998 g/cm3 @ Temp: 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 | RDKit |
