Methyl 3-hydroxyoctadecanoate - ≥95% , CAS No.14531-40-9

CAS: 14531-40-9 Cat. No.: M338879 Fórmula: C₁₉H₃₈O₃ Peso molecular: 314.50

GRADE & PURITY ≥95%

Synonyms

SCHEMBL3127385 | Octadecanoic acid, 3-hydroxy-, methyl ester | J-008085 | Methyl 3-Hydroxyoctadecanoate, (C18) | DTXSID10337117 | PD078033 | 3-Hydroxyoctadecanoic acid methyl ester | Methyl 3-hydroxyoctadecanoate | AKOS030240075 | XIGHAQIRKIFLFB-UHFFFAOYS

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SCHEMBL3127385 | Octadecanoic acid, 3-hydroxy-, methyl ester | J-008085 | Methyl 3-Hydroxyoctadecanoate, (C18) | DTXSID10337117 | PD078033 | 3-Hydroxyoctadecanoic acid methyl ester | Methyl 3-hydroxyoctadecanoate | AKOS030240075 | XIGHAQIRKIFLFB-UHFFFAOYS

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 528759206
• Sonrisas canónicas: CCCCCCCCCCCCCCCC(CC(=O)OC)O
• IUPAC Name: methyl 3-hydroxyoctadecanoate
• InChIKey: XIGHAQIRKIFLFB-UHFFFAOYSA-N
• INCHI: 1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22-2/h18,20H,3-17H2,1-2H3
• Isómeros SMILES: CCCCCCCCCCCCCCCC(CC(=O)OC)O
• CAS alternativo: 2420-36-2
• Peso molecular: 314.50
• Reaxy-Rn: 1791736
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1791736&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty alcohols
• Alternative Parents: Fatty acid methyl esters Beta hydroxy acids and derivatives Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long chain fatty alcohol - Beta-hydroxy acid - Fatty acid ester - Fatty acid methyl ester - Hydroxy acid - Methyl ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 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

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol, and methanol.
• Índice de refracción: n20D1.46 (Predicted)
• Punto de ebullición (°C): >300° C
• Punto de fusión (°C): 52-54° C
• Peso molecular: 314.500 g/mol
• XLogP3: 7.200
• 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