Titanium butoxide(TNBT) - ≥99% , CAS No.5593-70-4

CAS: 5593-70-4 Cat. No.: T104105 Formula: C₁₆H₃₆O₄Ti Molecular Weight: 340.32 Beilstein Registry Number: 4148236 EC Number: 227-006-8 PubChem CID: 21801

GRADE & PURITY ≥99%

Synonyms

Butyl titanate | Tetrabutoxy Titan | Titanium(IV) n-butoxide

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Tetri (IV) butyl titanate can be used as catalyst for transesterification of methyl methacrylate and synthesis of renewable polyester from vanillin dimer.It is used to prepare anatase type nano-titanium dioxide and ferroelectric Bi4Ti3O12 thin films. It is used to prepare nanocrystalline TiO2 powder at room temperature.

Titanium(IV) butoxide can be used as a catalyst in the transesterification of methyl methacrylate and synthesis of renewable polyesters from vanillin-based dimers. Used to prepare nanosized titania in the anatase form and ferroelectric Bi4Ti3O12 thin films. Used in the preparation of nanocrystalline TiO2 powders at room temperature.  

Specifications

Synonyms

Butyl titanate | Tetrabutoxy Titan | Titanium(IV) n-butoxide

Specifications & Purity

≥99%

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

504753055

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753055

Canonical Smiles

CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Ti+4]

IUPAC Name

butan-1-olate;titanium(4+)

InChIKey

YHWCPXVTRSHPNY-UHFFFAOYSA-N

INCHI

1S/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4

Isomeric SMILES

CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Ti+4]

WGK Germany

1

RTECS

XR1585000

PubChem CID

21801

UN Number

2920

Packing Group

I

Molecular Weight

340.32

Beilstein

4148236

Reaxy-Rn

4148236

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic transition metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic transition metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic transition metal salts
• Alternative Parents: Organic zwitterions Organic oxides Hydrocarbon derivatives Alkoxides
• Molecular Framework: Not available
• Substituents: Organic transition metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Miscible with aliphatic, aromatic, chlorinated and oxygenated solvents.Soluble in most organic solvents.
• Sensitivity: Moisture Sensitive
• Refractive Index: 1.491
• Flash Point(°F): 170°F
• Flash Point(°C): 41℃
• Boil Point(°C): 206°C
• Melt Point(°C): -40 °C
• Molecular Weight: 340.320 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 340.209 Da
• Monoisotopic Mass: 340.209 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 13.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5593-70-4, the molecular formula is C16H36O4Ti, and the molecular weight is 340.32 g/mol. InChIKey YHWCPXVTRSHPNY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.