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Cobalt 2-ethylhexanoate in mineral spirits (12%Co) - 12%Co, high purity , CAS No.136-52-7
Basic Description
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
Taxonomic Classification
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.
Names and Identifiers
Pubchem Sid
488180862
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180862
IUPAC Name
cobalt(2+);2-ethylhexanoate
INCHI
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
InChIKey
QAEKNCDIHIGLFI-UHFFFAOYSA-L
Smiles
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
104°F
Molecular Weight
345.340 g/mol
XLogP3
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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F2510139