Iron(II) stearate - 6%-8%Fe , CAS No.2980-59-8

CAS: 2980-59-8 Cat. No.: I282461 Molecular Weight: 622.81 PubChem CID: 6451492

GRADE & PURITY 6%-8%Fe

Synonyms

iron(2+);octadecanoate | 8DU7K04A3N | Iron stearate | UNII-8DU7K04A3N | Octadecanoic acid, iron(2+) salt | iron distearate | Octadecanoic acid, iron(2+) salt (2:1) | DTXSID40940951 | FERROUS STEARATE | FRVCGRDGKAINSV-UHFFFAOYSA-L | iron(II) stearate | STE

Storage

Room temperature

Specifications

Synonyms

iron(2+);octadecanoate | 8DU7K04A3N | Iron stearate | UNII-8DU7K04A3N | Octadecanoic acid, iron(2+) salt | iron distearate | Octadecanoic acid, iron(2+) salt (2:1) | DTXSID40940951 | FERROUS STEARATE | FRVCGRDGKAINSV-UHFFFAOYSA-L | iron(II) stearate | STE

Specifications & Purity

6%-8%Fe

Storage

Room temperature

Names and Identifiers

• Pubchem Sid: 488195808
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195808
• Canonical Smiles: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Fe+2]
• IUPAC Name: iron(2+);octadecanoate
• InChIKey: FRVCGRDGKAINSV-UHFFFAOYSA-L
• INCHI: 1S/2C18H36O2.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Fe+2]
• PubChem CID: 6451492
• Molecular Weight: 622.81

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: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Carboxylic acid salts Organic transition metal salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Not available
• Substituents: Long-chain fatty acid - Straight 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 salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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

• Molecular Weight: 622.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 30
• Exact Mass: 622.462 Da
• Monoisotopic Mass: 622.462 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 196.000
• 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: 3

XLogP3

References

1. Panpan Zhang, Qiongqiong Xu, Wenyu Mao, Jiaxing Lv, Haodong Tang, Huadong Tang.  (2023)  Synthesis of Ultrahigh Molecular Weight Poly(methyl Methacrylate) via the Polymerization of MMA Initiated by the Combination of Palladium Carboxylates with Thiols.  Polymers,  15  (11): (2501).  [PMID:37299300] [10.3390/polym15112501]