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Bis(2,4-Pentanedionato-Κo2,Κo4)Bis(2-Propanolato)Titanium
CAS: 17927-72-9 | C16H28O6Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17927-72-9
Molecular Formula:
C16H28O6Ti
Molecular Weight:
364.2610000000001 g/mol
Names and Synonyms:
Bis(2,4-Pentanedionato-Κo2,Κo4)Bis(2-Propanolato)Titanium
Synonym
Titanium, bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)-
Synonym
Titanium, diisopropoxybis(2,4-pentanedionato)-
Synonym
Titanium, bis(2,4-pentanedionato-O,O′)bis(2-propanolato)-
Synonym
Titanium, bis(2,4-pentanedionato-κO,κO′)bis(2-propanolato)-
Synonym
2-Propanol, titanium complex
Synonym
Bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)titanium
Synonym
Bis(acetylacetonato)diisopropoxytitanium
Synonym
Titanium bis(acetoacetonate)diisopropylate
Synonym
Diisopropoxybis(acetylacetonato)titanium
Synonym
Diisopropoxytitanium bis(acetylacetonate)
Synonym
Titanium diisopropoxide bis(acetylacetonate)
Synonym
Titanium diisopropylate diacetylacetonate
Synonym
Diisopropoxybis(2,4-pentanedionato)titanium(IV)
Synonym
Titabond 50
Synonym
Tyzor AA
Synonym
Orgatix TC 100
Synonym
TAA (titanate)
Synonym
Titanium diisopropoxy bis(acetylacetonate)
Synonym
TAA
Synonym
T 50
Synonym
Bis(acetylacetonato)diisopropanolatotitanium
Synonym
Titacoat T 50
Synonym
Bis(acetylacetonato)bis(isopropanolato)titanium
Synonym
TC 100
Synonym
AKT 855
Synonym
Di(isopropoxo)bis(pentane-2,4-dionato)titanium
Synonym
Tyzor GBA
Synonym
T 80
Synonym
T 80 (titanate)
Synonym
Tyzor AA 75
Synonym
Vertec KE 2
Synonym
Bis(acetylacetonate)-titanium-di-isopropylate
Synonym
Bis(isopropoxy)titanium bis(acetylacetonate)
Synonym
Titanium bis(2,4-pentanedionate) diisopropoxide
Synonym
Titanium bis(isopropoxy) bis(acetoacetonate)
Synonym
Vertec TAA
Synonym
Titanium diisopropoxide bis(2,4-pentanedionate)
Synonym
AA 75
Synonym
KH 802
Synonym
Tytan TAA
Synonym
(Diisopropoxy)bis(acetylacetonate)titanium (IV)
Synonym
A 75
Synonym
Diisopropoxytitanium diacetylacetonate
Synonym
TC 120
Synonym
Orgatix TC 120
Synonym
Lida LD 801
Synonym
LD 801
Synonym
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(C)[O-].CC(C)[O-].[Ti+4]
InChI:
InChI=1S/2C5H7O2.2C3H7O.Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;/h2*3H,1-2H3;2*3H,1-2H3;/q4*-1;+4
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 364.2610000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 364.13653491599996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 114.4 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.24508000000000174 | RDKit |
| molecular_mass | 364.26 g/mol | Legacy Database |
| cas-canonical-smile | O1=C([CH-]C(=O[Ti+4]12(O=C([CH-]C(=O2)C)C)([O-]C(C)C)[O-]C(C)C)C)C None | Legacy Database |
| cas-inchi | InChI=1S/2C5H7O2.2C3H7O.Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;/h2*3H,1-2H3;2*3H,1-2H3;/q4*-1;+4 None | Legacy Database |
| cas-inchi-key | InChIKey=DOOBMVWXHWRGEB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)titanium None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 81.59600000000006 | RDKit |