Product Name

  • Name

    Tetra-tert-butyl orthotitanate

  • EINECS 221-412-9
  • CAS No. 3087-39-6
  • Density 0.881 g/mL at 25 °C(lit.)
  • Solubility
  • Melting Point
  • Formula C16H36O4Ti
  • Boiling Point 70oC (2 mmHg) ,84.6oC at 760 mmHg
  • Molecular Weight 340.339
  • Flash Point 11.7oC
  • Transport Information
  • Appearance
  • Safety 16-26-36
  • Risk Codes 10-36/37/38
  • Molecular Structure Molecular Structure of 3087-39-6 (Tetra-tert-butyl orthotitanate)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Propanol,2-methyl-, titanium(4+) salt (9CI);tert-Butyl alcohol, titanium(4+) salt(8CI);tert-Butyl titanate(IV) (7CI);Tetra-tert-butoxytitanium;Tetra-tert-butyl titanate;Tetrakis(tert-butanolato)titanium;Tetrakis(tert-butoxy)titanium;Titanium tert-butoxide;Titanium tert-butylate;Titanium tetra-tert-butoxide;Titanium tetrakis(2-methyl-2-propoxide);Titaniumtetrakis(t-butoxide);Titanium tetrakis(tert-butanolate);Titaniumtetrakis(tert-butoxide);Titanium(4+) tert-butoxide;Titanium(IV)tert-butoxide;t-Butanol, titanium(4+) salt;tert-Butyl orthotitanate;tert-Butyl titanate;
  • PSA 36.92000
  • LogP 5.06320

Tetra-tert-butyl orthotitanate Specification

The Tetra-tert-butyl orthotitanate is an organic compound with the formula C16H36O4Ti. The systematic name of this chemical is 2-methylpropan-2-olate; titanium. With the CAS registry number 3087-39-6, it is also named as titanium(4+) 2-methylpropan-2-olate. Besides, it should be stored in a closed cool and dry place.

Physical properties about Tetra-tert-butyl orthotitanate are: (1)#H bond acceptors: 4; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 92.24 Å2.

When you are using this chemical, please be cautious about it as the following:
It is flammable. Please keep away from sources of ignition - No smoking. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ti].CC(C)([O-])C.[O-]C(C)(C)C.[O-]C(C)(C)C.[O-]C(C)(C)C
(2)InChI: InChI=1/4C4H9O.Ti/c4*1-4(2,3)5;/h4*1-3H3;/q4*-1;
(3)InChIKey: HQUYGRKXFMDEFO-UHFFFAOYAT
(4)Std. InChI: InChI=1S/4C4H9O.Ti/c4*1-4(2,3)5;/h4*1-3H3;/q4*-1;
(5)Std. InChIKey: HQUYGRKXFMDEFO-UHFFFAOYSA-N

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