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1-Hexanol, 2-Ethyl-, Titanium(4+) Salt (4:1)
CAS: 1070-10-6 | C8H18OTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1070-10-6
Molecular Formula:
C8H18OTi
Molecular Mass:
178.10 g/mol
Names and Synonyms:
1-Hexanol, 2-Ethyl-, Titanium(4+) Salt (4:1)
1-Hexanol, 2-ethyl-, titanium(4+) salt (4:1)
1-Hexanol, 2-ethyl-, titanium(4+) salt
1-Hexanol, 2-ethyl-, titanate(IV)
2-Ethylhexyl titanate
Tetra(2-ethylhexyl) titanate
2-Ethylhexyl orthotitanate
Tetrakis(2-ethylhexyl) titanate
Tyzor TOT
2-Ethyl-1-hexanol titanium(4+) salt
Tetrakis(2-ethylhexyloxy)titanium
TOT
Tetra(2-ethylhexyloxy)titanium
Titanium tetrakis(2-ethylhexoxide)
Titanium 2-ethylhexoxide
TA 30
Orgatix TA 30
Tilcom EHT
NSC 159034
Titanium(IV) 2-ethylhexoxide
Tetrakis(2-ethylhexyl) orthotitanate
Titanium tetrakis(2-ethylhexanolate)
Titanium tetrakis(2-ethylhexanoxide)
Titanium(IV) 2-ethylhexyloxide
AKT 867
Identifiers:
SMILES:
CCCCC(CC)CO.[Ti]
InChI:
InChI=1S/C8H18O.Ti/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3;
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 | 178.10 g/mol | CAS Common Chemistry |
| 178.09799999999998 g/mol | RDKit | |
| 178.08371149599998 g/mol | RDKit | |
| Canonical SMILES | [Ti].OCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O.Ti/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=UJMZZAZBRIPOHZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Hexanol, 2-ethyl-, titanium(4+) salt (4:1) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.1926 | RDKit |
| Molar Refractivity | 40.3918 | RDKit |
