Chromium(III) 2-ethylhexanoate - in Mixed tetratoluene (8-10% Cr) , CAS No.3444-17-5

CAS: 3444-17-5 Cat. No.: C303493 Molecular Weight: 481.62 EC Number: 222-357-3

GRADE & PURITY in Mixed tetratoluene (8-10% Cr)

Synonyms

Chromium(III) 2-ethylhexanoate|3444-17-5|chromium(3+);2-ethylhexanoate|2-Ethylhexanoic acid chromium(III) salt|Chromic 2-ethylhexanoate|Chromium tris(2-ethylhexanoate)|Chromium 2-ethylhexanoate (1:3)|EINECS 222-357-3|Hexanoic acid, 2-ethyl-, chromium(3+)

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

Chromium(III) 2-ethylhexanoate | 3444-17-5 | chromium(3+);2-ethylhexanoate | 2-Ethylhexanoic acid chromium(III) salt | Chromic 2-ethylhexanoate | Chromium tris(2-ethylhexanoate) | Chromium 2-ethylhexanoate (1:3) | EINECS 222-357-3 | Hexanoic acid, 2-ethyl-, chromium(3+)

Specifications & Purity

in Mixed tetratoluene (8-10% Cr)

Storage

Room temperature, Desiccated

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488187323
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187323
• Canonical Smiles: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cr+3]
• IUPAC Name: chromium(3+);2-ethylhexanoate
• InChIKey: WBKDDMYJLXVBNI-UHFFFAOYSA-K
• INCHI: 1S/3C8H16O2.Cr/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-].[Cr+3]
• Molecular Weight: 481.62
• Reaxy-Rn: 11322237
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11322237&ln=

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 Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organic chromium salts 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 chromium salt - 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

• Flash Point(°C): >110°C
• Molecular Weight: 481.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 481.262 Da
• Monoisotopic Mass: 481.262 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