stearyl citrate tri ester - ≥95% , CAS No.7775-50-0

CAS: 7775-50-0 Cat. No.: S479491 Fórmula: C₆₀H₁₁₆O₇ Peso molecular: 949.56 Número CE: 231-896-3 PubChem CID: 24493

GRADE & PURITY ≥95%

Synonyms

Citric acid, trioctadecyl ester | Citric acid monostearyl ester | Q27283324 | TRISTEARYL CITRATE [INCI] | W-110237 | EINECS 231-896-3 | SCHEMBL42509 | Trioctadecyl citrate | M10B5XY389 | CITROFLEX MSC | Stearyl citrate tri ester | TRISTEARYL CITRATE | 2-H

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Citric acid, trioctadecyl ester | Citric acid monostearyl ester | Q27283324 | TRISTEARYL CITRATE [INCI] | W-110237 | EINECS 231-896-3 | SCHEMBL42509 | Trioctadecyl citrate | M10B5XY389 | CITROFLEX MSC | Stearyl citrate tri ester | TRISTEARYL CITRATE | 2-H

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

528769141

Sorrisos canónicos

CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCCCCCC)(C(=O)OCCCCCCCCCCCCCCCCCC)O

IUPAC Name

trioctadecyl 2-hydroxypropane-1,2,3-tricarboxylate

InChIKey

UKBHVNMEMHTWQO-UHFFFAOYSA-N

INCHI

1S/C60H116O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-65-57(61)55-60(64,59(63)67-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-58(62)66-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h64H,4-56H2,1-3H3

SMILES isoméricas

CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCCCCCC)(C(=O)OCCCCCCCCCCCCCCCCCC)O

PubChem CID

24493

Peso molecular

949.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Tricarboxylic acids and derivatives Fatty acid esters Tertiary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Tricarboxylic acid or derivatives - Fatty acid ester - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): Not applicable
• Ponto de inflamação (°C): Not applicable
• Peso molecular: 949.600 g/mol
• XLogP3: 25.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 59
• Exact Mass: 948.872 Da
• Monoisotopic Mass: 948.872 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 67
• Formal Charge: 0
• Complexity: 978.000
• 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: 1