Bis(2-ethylhexanoato)hydroxyaluminum - ≥98% , CAS No.30745-55-2

CAS: 30745-55-2 Cat. No.: B151881 Molecular Weight: 330.4 EC Number: 250-322-2 PubChem CID: 16684284

GRADE & PURITY ≥98%

Synonyms

bis(2-ethylhexanoyloxy)(hydroxy)aluminum | ALUMINUM 2-ETHYLHEXANOATE, BASIC | Aluminum, bis(2-ethylhexanoato-kappaO)hydroxy- | EINECS 250-322-2 | F71250 | Bis(2-ethylhexanoato)hydroxyaluminum | Bis(2-ethylhexanoato) hydroxyaluminium | Hydroxy aluminium bi

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

bis(2-ethylhexanoyloxy)(hydroxy)aluminum | ALUMINUM 2-ETHYLHEXANOATE, BASIC | Aluminum, bis(2-ethylhexanoato-kappaO)hydroxy- | EINECS 250-322-2 | F71250 | Bis(2-ethylhexanoato)hydroxyaluminum | Bis(2-ethylhexanoato) hydroxyaluminium | Hydroxy aluminium bi

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCC(CC)C(=O)O[Al]OC(=O)C(CC)CCCC.O
• InChIKey: FGUJTDLODZCJIO-UHFFFAOYSA-L
• INCHI: 1S/2C8H16O2.Al.H2O/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;1H2/q;;+2;/p-2
• Isomeric SMILES: CCCCC(CC)C(=O)O[Al]OC(=O)C(CC)CCCC.O
• PubChem CID: 16684284
• Molecular Weight: 330.4
• Reaxy-Rn: 3791036

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Organic metal salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Organic metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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: Insoluble in water
• Molecular Weight: 331.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 331.207 Da
• Monoisotopic Mass: 331.207 Da
• Topological Polar Surface Area: 53.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 268.000
• 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: 2

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