Methyl 12-hydroxystearate - technical grade , CAS No.141-23-1

CAS: 141-23-1 Cat. No.: M598573 Fórmula: C₁₉H₃₈O₃ Peso molecular: 314.51 Número CE: 205-471-8

GRADE & PURITY Technical grade

Synonyms

methyl 12-hydroxyoctadecanate | Methyl 12-hydroxystearate, United States Pharmacopeia (USP) Reference Standard | AKOS015913955 | Q27286334 | 12-Hydroxyoctadecanoic acid, methyl ester | METHYL 12-HYDROXYSTEARATE [HSDB] | METHYL 12-HYDROXYSTEARATE [USP-RS]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

methyl 12-hydroxyoctadecanate | Methyl 12-hydroxystearate, United States Pharmacopeia (USP) Reference Standard | AKOS015913955 | Q27286334 | 12-Hydroxyoctadecanoic acid, methyl ester | METHYL 12-HYDROXYSTEARATE [HSDB] | METHYL 12-HYDROXYSTEARATE [USP-RS]

Especificações e pureza

technical grade

Mecanismos bioquímicos e fisiológicos

Methyl 12-hydroxystearate is a methyl esterified fatty acid used as a reference for the identification and quantification of 12-hydroxystearic acid, a molecular organogelator, found in tissues, membranes, synthetic molecular gels and copolymers.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Grau

Grau técnico

Nomes e identificadores

• Pubchem Sid: 508807491
• Sorrisos canónicos: CCCCCCC(CCCCCCCCCCC(=O)OC)O
• IUPAC Name: methyl 12-hydroxyoctadecanoate
• InChIKey: RVWOWEQKPMPWMQ-UHFFFAOYSA-N
• INCHI: 1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3
• SMILES isoméricas: CCCCCCC(CCCCCCCCCCC(=O)OC)O
• WGK Alemanha: 3
• RTECS: WI4200000
• Peso molecular: 314.51
• Reaxy-Rn: 1727549
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727549&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Fatty acid methyl esters Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Fatty acid methyl ester - Fatty acid ester - Methyl ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 alcohols. These are aliphatic alcohols consisting of a chain of a least six 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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: n20D1.46 (Predicted)
• Ponto de ebulição (°C): ~400.0° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 47.8° C
• Peso molecular: 314.500 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 314.282 Da
• Monoisotopic Mass: 314.282 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 241.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1