Cobalt(II) 2-ethylhexanoate solution - 65 wt. % in mineral spirits , CAS No.136-52-7

CAS: 136-52-7 Cat. No.: C282475 Molecular Weight: 345.42 EC Number: 205-250-6

GRADE & PURITY 65 wt. % in mineral spirits

Synonyms

Cobalt 2-ethylhexoate | COBALT BIS(2-ETHYLHEXANOATE) | cobalt(2+);2-ethylhexanoate | 2-Ethylhexanoic acid cobalt(2+) salt | Cobalt(II) 2-ethylhexanoate | C 101 | SCHEMBL37454 | Cobaltous octoate | NL 51S | Hexanoic acid, 2-ethyl-, cobalt(2+) salt (2:1) |

Storage

Room temperature

Specifications

Synonyms

Cobalt 2-ethylhexoate | COBALT BIS(2-ETHYLHEXANOATE) | cobalt(2+);2-ethylhexanoate | 2-Ethylhexanoic acid cobalt(2+) salt | Cobalt(II) 2-ethylhexanoate | C 101 | SCHEMBL37454 | Cobaltous octoate | NL 51S | Hexanoic acid, 2-ethyl-, cobalt(2+) salt (2:1) |

Specifications & Purity

65 wt. % in mineral spirits

Storage

Room temperature

Names and Identifiers

• Pubchem Sid: 488180862
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180862
• Canonical Smiles: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]
• IUPAC Name: cobalt(2+);2-ethylhexanoate
• InChIKey: QAEKNCDIHIGLFI-UHFFFAOYSA-L
• INCHI: 1S/2C8H16O2.Co/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
• Isomeric SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]
• UN Number: 1268
• Packing Group: III
• Molecular Weight: 345.42
• Reaxy-Rn: 4020440
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4020440&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: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organic cobalt salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Medium-chain 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 cobalt salt - 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): 104°F
• Molecular Weight: 345.340 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 345.148 Da
• Monoisotopic Mass: 345.148 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 93.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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