Iron(III) 2-ethylhexanoate solution - 50 wt. % in mineral spirits , CAS No.7321-53-1

CAS: 7321-53-1 Cat. No.: I304503 Formula: C₂₄H₄₅FeO₆ Molecular Weight: 485.47 EC Number: 230-794-6

GRADE & PURITY 50 wt. % in mineral spirits

Synonyms

Iron 2-ethylhexanoate | DTXSID70890632 | FT-0670420 | Hexanoic acid, 2-ethyl-, iron(3+) salt | Iron tris(2-ethylhexanoate) | ULUYRVWYCIOFRV-UHFFFAOYSA-K | EINECS 230-794-6 | 2-ethylhexanoate;iron(3+) | IRON(III) 2-ETHYLHEXANOATE | IRON(III)2-ETHYLHEXANOAT

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Application：

Iron(III) 2-ethylhexanoate is used as a catalyst used in polymerization reactions. It also serves as a mild Lewis acid catalyst for the stereoselective Diels-Alder reaction. Further, it acts as Ziegler-Natta type catalyst system involved in the polymerization of 1,3-butadiene.

Specifications

Synonyms

Iron 2-ethylhexanoate | DTXSID70890632 | FT-0670420 | Hexanoic acid, 2-ethyl-, iron(3+) salt | Iron tris(2-ethylhexanoate) | ULUYRVWYCIOFRV-UHFFFAOYSA-K | EINECS 230-794-6 | 2-ethylhexanoate;iron(3+) | IRON(III) 2-ETHYLHEXANOATE | IRON(III)2-ETHYLHEXANOAT

Specifications & Purity

50 wt. % in mineral spirits

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

504756678

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756678

Canonical Smiles

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Fe+3]

IUPAC Name

2-ethylhexanoate;iron(3+)

InChIKey

ULUYRVWYCIOFRV-UHFFFAOYSA-K

INCHI

1S/3C8H16O2.Fe/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Fe+3]

Molecular Weight

485.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Carboxylic acid salts Organic transition metal salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Medium-chain fatty acid - Branched fatty acid - Carboxylic acid salt - Organic transition metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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 chloroform. Immiscible with water.
• Flash Point(°C): 116.6ºC
• Boil Point(°C): 228ºC at 760 mmHg
• Molecular Weight: 485.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 485.257 Da
• Monoisotopic Mass: 485.257 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 93.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3

Frequently Asked Questions

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 7321-53-1, the molecular formula is C24H45FeO6, and the molecular weight is 485.47 g/mol. InChIKey ULUYRVWYCIOFRV-UHFFFAOYSA-K.

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.