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Molecule
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
Identifiers
CAS Registry Number
1070-10-6
SMILES
CCCCC(CC)CO.[Ti]
InChI Key
UJMZZAZBRIPOHZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O.Ti/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3;
Names and Synonyms
- 1-Hexanol, 2-Ethyl-, Titanium(4+) Salt (4:1) Systematic Name
- 1-Hexanol, 2-ethyl-, titanium(4+) salt (4:1) Synonym
- 1-Hexanol, 2-ethyl-, titanium(4+) salt Synonym
- 1-Hexanol, 2-ethyl-, titanate(IV) Synonym
- 2-Ethylhexyl titanate Synonym
- Tetra(2-ethylhexyl) titanate Synonym
- 2-Ethylhexyl orthotitanate Synonym
- Tetrakis(2-ethylhexyl) titanate Synonym
- Tyzor TOT Synonym
- 2-Ethyl-1-hexanol titanium(4+) salt Synonym
- Tetrakis(2-ethylhexyloxy)titanium Synonym
- TOT Synonym
- Tetra(2-ethylhexyloxy)titanium Synonym
- Titanium tetrakis(2-ethylhexoxide) Synonym
- Titanium 2-ethylhexoxide Synonym
- TA 30 Synonym
- Orgatix TA 30 Synonym
- Tilcom EHT Synonym
- NSC 159034 Synonym
- Titanium(IV) 2-ethylhexoxide Synonym
- Tetrakis(2-ethylhexyl) orthotitanate Synonym
- Titanium tetrakis(2-ethylhexanolate) Synonym
- Titanium tetrakis(2-ethylhexanoxide) Synonym
- Titanium(IV) 2-ethylhexyloxide Synonym
- AKT 867 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.10 g/mol | CAS Common Chemistry |
| 178.09799999999998 g/mol | RDKit | |
| 178.098 g/mol | RDKit | |
| 180.114 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 178.08371149599998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 178.10 g/mol. Edit any field — others recompute live.
