Aluminium stearate - CP , CAS No.637-12-7

CAS: 637-12-7 Cat. No.: A112521 Peso molecular: 877.4 Número EC: 211-279-5

GRADE & PURITY CP

Synonyms

ALUMINIUM STEARATE (EP MONOGRAPH) | AI3-01515 | DB11290 | Octadecanoic acid, aluminum salt | ALUMINUM TRISTEARATE [INCI] | Rofob 3 | HSDB 5733 | DTXSID0027278 | ALUGEL 30DF | ALUMINIUM STEARATE [WHO-DD] | ALUMINUM TRISTEARATE | Monoaluminum stearate | Alu

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ALUMINIUM STEARATE (EP MONOGRAPH) | AI3-01515 | DB11290 | Octadecanoic acid, aluminum salt | ALUMINUM TRISTEARATE [INCI] | Rofob 3 | HSDB 5733 | DTXSID0027278 | ALUGEL 30DF | ALUMINIUM STEARATE [WHO-DD] | ALUMINUM TRISTEARATE | Monoaluminum stearate | Alu

Especificaciones y pureza

CP

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

CP

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3]
• IUPAC Name: aluminum;octadecanoate
• InChIKey: CEGOLXSVJUTHNZ-UHFFFAOYSA-K
• INCHI: 1S/3C18H36O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3
• Isómeros SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3]
• CAS alternativo: 7047-84-9
• Peso molecular: 877.4
• Reaxy-Rn: 3919665
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3919665&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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 Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organic aluminium salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic aluminium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: 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: aluminium salt

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

Propiedades químicas y físicas

• Solubilidad: Soluble in alkali, petroleum, turpentine oil , benzene, and mineral oils. Insoluble in water, ethanol, and ether.
• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 105-115°C
• Peso molecular: 877.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 45
• Exact Mass: 876.773 Da
• Monoisotopic Mass: 876.773 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 61
• 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: 4

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