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Reference substances

Reference substances

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General information

Inventory

EC number:
208-909-6
EC name:
Titanium tetraisopropanolate
CAS number:
546-68-9

No inventory information available

Reference substance information

IUPAC name:
titanium(4+) tetrakis(propan-2-olate)
Synonyms
Names:
2-Propanol, titanium(4+) salt
2-Propanol, titanium(4++) salt
2-propanol titanium (4+) salt
Tetraisopropyl orthotitanate
Titanium isopropoxide
Titanium tetraisopropoxide
Titanium tetraisopropylate
Titanium(IV) isopropoxide
iso-propyl titanate
tetraisopropyl titanate
titanium iso-propoxide
Identifier:
CAS number
546-68-9
Identifier:
IUPAC name
2-Propanol, titanium(4+) salt
Identifier:
IUPAC name
propan-2-olate;titanium(4+)
Identifier:
IUPAC name
titanium tetraisopropanolate
Identifier:
IUPAC name
titanium tetraisopropanolate
Identifier:
IUPAC name
titanium(4+) ion tetrakis(propan-2-olate)
Identifier:
other: InChl
1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
Identifier:
other: Molecular formula
C3H8O.1/4Ti
Identifier:
other: SMILES notation
CC(O[Ti](OC(C)C)(OC(C)C)OC(C)C)C
Identifier:
other: InChl
InChI=1/4C3H7O.2Ti/c4*1-3(2)4;;/h4*3H,1-2H3;;/q4*-1;2*+2
Identifier:
other: InChl
InChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
Identifier:
other: SMILES notation
Not available
Identifier:
other: Molecular formula
TiO4C12H28
Identifier:
other: SMILES notation
[O-]C(C)C.[Ti+4].[O-]C(C)C.[O-]C(C)C.[O-]C(C)C
Identifier:
other: SMILES notation
[Ti+2].[Ti+2].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-]
Identifier:
other: SMILES notation
[Ti+4].CC([O-])C.CC([O-])C.CC([O-])C.CC([O-])C
Titanium tetrakis(propan-2-olato)

CAS information

CAS number:
546-68-9

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
546-68-9

Molecular and structural information

Molecular formula:
C12H28O4Ti
Molecular weight:
ca. 284.22
SMILES notation:
CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C
InChl:
InChI=1/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
Structural formula:
Chemical structure