Triisopropyl Orthoformate - ≥97%(GC) , CAS No.4447-60-3

CAS: 4447-60-3 Cat. No.: T162581 Molecular Weight: 190.28 EC Number: 224-688-9 PubChem CID: 78191

GRADE & PURITY ≥97%(GC)

Synonyms

FT-0650876 | Propane, 2,2',2''-(methylidynetris(oxy))tris- | J-525099 | EINECS 224-688-9 | FPIVAWNGRDHRSQ-UHFFFAOYSA- | SCHEMBL21248 | Triisopropylorthoformate | Isopropyl orthoformate | 2-[di(propan-2-yloxy)methoxy]propane | LS-13917 | Propane, 2,2',2''-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Triisopropyl orthoformate (TIPO) is formed during the reaction of dichlorofluoromethane with potassium isopropoxide in isopropyl alcohol. Separation of TIPO from n-hexane by dense carbon nanotube (CNT) membranes by pervaporation has been reported.
Triisopropyl orthoformate may be used for the preparation of 2-(diisopropoxymethyl)oxirane.

Specifications

Synonyms

FT-0650876 | Propane, 2, 2', 2''-(methylidynetris(oxy))tris- | J-525099 | EINECS 224-688-9 | FPIVAWNGRDHRSQ-UHFFFAOYSA- | SCHEMBL21248 | Triisopropylorthoformate | Isopropyl orthoformate | 2-[di(propan-2-yloxy)methoxy]propane | LS-13917 | Propane, 2, 2', 2''-

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504755262
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755262
• Canonical Smiles: CC(C)OC(OC(C)C)OC(C)C
• IUPAC Name: 2-[di(propan-2-yloxy)methoxy]propane
• InChIKey: FPIVAWNGRDHRSQ-UHFFFAOYSA-N
• INCHI: 1S/C10H22O3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-10H,1-6H3
• Isomeric SMILES: CC(C)OC(OC(C)C)OC(C)C
• WGK Germany: 1
• PubChem CID: 78191
• UN Number: 3272
• Packing Group: III
• Molecular Weight: 190.28
• Reaxy-Rn: 1700668

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ortho esters

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ortho esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho esters
• Alternative Parents: Carboxylic acid orthoesters Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ortho ester - Carboxylic acid orthoester - Orthocarboxylic acid derivative - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ortho esters. These are compounds having the general structure RC(OR')3 ( R' not H), or the structure C(OR')4 ( R' not H).
• 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

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.397
• Flash Point(°F): 107.6 °F
• Flash Point(°C): 42°C(lit.)
• Boil Point(°C): 65-66 °C/18 mmHg
• Molecular Weight: 190.280 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 190.157 Da
• Monoisotopic Mass: 190.157 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 97.600
• 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: 1