Trihexyl(tetradecyl)phosphonium decanoate - ≥95% , CAS No.465527-65-5

CAS: 465527-65-5 Cat. No.: T282166 Molecular Weight: 655.11 EC Number: 689-603-3 PubChem CID: 16213695

GRADE & PURITY ≥95%

Synonyms

SCHEMBL194214 | TRIHEXYL(TETRADECYL)PHOSPHANIUM DECANOATE | MFCD04117698 | HQIPXXNWLGIFAY-UHFFFAOYSA-M | DTXSID80584090 | trihexyl(tetradecyl)phosphonium decanoate | Trihexyltetradecylphosphonium decanoate, >=95.0% (NMR) | trihexyl(tetradecyl) phosphonium

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Trihexyltetradecylphosphonium decanoate is an ionic liquid that is used as a convenient and efficient solvent for a wide range of chemical reactions due to its unique properties such as its high thermal stability and low volatility, which make it useful in a variety of organic synthesis applications.

Application：

Trihexyltetradecylphosphonium decanoate can be used as a demulsifying agent due to its unique solubility and surface-active properties. It is also used as a catalyst in Henry nitroaldol reactions.

Specifications

Synonyms

SCHEMBL194214 | TRIHEXYL(TETRADECYL)PHOSPHANIUM DECANOATE | MFCD04117698 | HQIPXXNWLGIFAY-UHFFFAOYSA-M | DTXSID80584090 | trihexyl(tetradecyl)phosphonium decanoate | Trihexyltetradecylphosphonium decanoate, >=95.0% (NMR) | trihexyl(tetradecyl) phosphonium

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CCCCCCCCCC(=O)[O-]
• IUPAC Name: decanoate;trihexyl(tetradecyl)phosphanium
• InChIKey: HQIPXXNWLGIFAY-UHFFFAOYSA-M
• INCHI: 1S/C32H68P.C10H20O2/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;1-2-3-4-5-6-7-8-9-10(11)12/h5-32H2,1-4H3;2-9H2,1H3,(H,11,12)/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CCCCCCCCCC(=O)[O-]
• WGK Germany: 3
• PubChem CID: 16213695
• Molecular Weight: 655.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Tetraalkylphosphonium compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Tetraalkylphosphonium compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylphosphonium compounds
• Alternative Parents: Monocarboxylic acids and derivatives Organopnictogen compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Tetraalkylphosphonium compound - Monocarboxylic acid or derivatives - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylphosphonium compounds. These are organophosphorus compounds that contain a tetravalent phosphorus atom substituted to four alkyl chains.
• 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
• Molecular Weight: 655.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 35
• Exact Mass: 654.644 Da
• Monoisotopic Mass: 654.644 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 424.000
• 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: 2

XLogP3