Titanium(4+) (1Z)-1-ethoxy-3-oxo-1-buten-1-olate 2-propanolate (1:2:2)

Basic Information

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CAS Number

27858-32-8

Molecular Formula

C18H32O8Ti

Molecular Weight

424.31 g/mol

EINECS

248-697-2

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

220°C

Density

1.109 g/mL at 25 °C

Water Solubility

1000g/L at 25℃

Flash Point

87 °F

Refractive Index

n20/D 1.518(lit.)

Vapor Pressure

0.33 psi ( 20 °C)

SMILES

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CCO/C(=C/C(=O)C)/O[Ti](O/C(=C\C(=O)C)/OCC)(OC(C)C)OC(C)C

InChI

InChI=1S/2C6H10O3.2C3H7O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-3(2)4;/h2*4,8H,3H2,1-2H3;2*3H,1-2H3;/q;;2*-1;+4/p-2/b2*6-4+;;;

InChIKey

XEMMRWPCJFCMMM-DTYWIDMTSA-L

LogP

3.617300000000003

Topological Polar Surface Area

89.52000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

137

Safety Information

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Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

TITANIUM(IV) BIS(ETHYL ACETOACETATO)-DII SOPROPOXIDE, TECH.
Titanium, bisethyl 3-(oxo-.kappa.O)butanoato-.kappa.Obis(2-propanolato)-
Titanium, bis(ethyl 3-oxobutanoato-O1#',O3)bis(2-propanolato)-
diisopropoxybis(ethylacetoacetate)titanium
Titanium isopropoxy bis (ethyl aceto-acetate)
Einecs 248-697-2
(Z)-4-ethoxy-4-oxobut-2-en-2-olate,propan-2-olate,titanium(4+)
Diisopropoxy-bisethylacetoacetatotitate
Diisopropoxy-bisethylacetoacetatotitanate
(E)-1-ethoxy-3-oxobut-1-en-1-olate
AC1NUR1E
Bis(ethyl acetoacetato-O1',O3)bis(propan-2-olato)titanium
Diisopropoxydi(ethoxyacetoacetyl)titanate
EINECS 248-697-2
I14-53636
propan-2-olate
titanium (IV) bis(ethylacetoacetato)diisopropoxide
titanium diisopropoxide b
titanium(4+)
Titanium, bis(ethyl 3-oxobutanoato-O1',O3)bis(2-propanolato)-
Titanium, bis(hydrogenacetoacetato)diisopropoxy-, diethyl ester (7CI,8CI)
2-Propanol, titaniumcomplex
Butanoic acid, 3-oxo-, ethyl ester, titanium complex
AKT 865
Bis(ethyl acetoacetato)diisopropoxytitanium
Di(isopropoxy)bis(ethylacetoacetato)titanium
Diisopropoxy bis(ethylacetoacetate)titanate
Diisopropoxytitanium bi(ethyl acetoacetate)
Diisopropoxytitanium bis(ethylacetylacetate)
Diisopropoxytitanium bis(ethylacetoacetate)
Orgatix TC 750

MDL Number

MFCD00078038

EC Number

248-697-2

Customs Code

2905190098

FAQ

What are the physical and chemical properties of Titanium(4+) (1Z)-1-ethoxy-3-oxo-1-buten-1-olate 2-propanolate (1:2:2) (CAS: 27858-32-8)?

Titanium(4+) (1Z)-1-ethoxy-3-oxo-1-buten-1-olate 2-propanolate (1:2:2) (CAS: 27858-32-8) is a complex titanium compound. It has a crystalline form with a molecular weight of approximately 347.4 g/mol. This compound has limited water solubility and exhibits moderate reactivity. It is used in various applications due to its unique chemical properties.

How is Titanium(4+) (1Z)-1-ethoxy-3-oxo-1-buten-1-olate 2-propanolate (1:2:2) (CAS: 27858-32-8) typically synthesized?

Titanium(4+) (1Z)-1-ethoxy-3-oxo-1-buten-1-olate 2-propanolate (1:2:2) (CAS: 27858-32-8) can be synthesized through a multi-step process involving titanium tetrachloride, ethyl acetoacetate, and 1,3-butadiene. This synthesis typically requires the use of specific catalysts and is performed under controlled conditions to achieve desired yields and selectivities.

What industries use Titanium(4+) (1Z)-1-ethoxy-3-oxo-1-buten-1-olate 2-propanolate (1:2:2) (CAS: 27858-32-8)?

Titanium(4+) (1Z)-1-ethoxy-3-oxo-1-buten-1-olate 2-propanolate (1:2:2) (CAS: 27858-32-8) is primarily used in the pharmaceutical industry for its role in organic synthesis, as well as in the polymer industry for its catalytic properties. It also finds use in sensor and semiconductor applications due to its unique chemical and physical properties.

What precautions should be taken when handling Titanium(4+) (1Z)-1-ethoxy-3-oxo-1-buten-1-olate 2-propanolate (1:2:2) (CAS: 27858-32-8)?

When handling Titanium(4+) (1Z)-1-ethoxy-3-oxo-1-buten-1-olate 2-propanolate (1:2:2) (CAS: 27858-32-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it should be cleaned up immediately using appropriate procedures and materials as recommended in the safety data sheet (SDS).