Butyl oleate - ≥70% , CAS No.142-77-8

CAS: 142-77-8 Cat. No.: B112694 Fórmula: C₂₂H₄₂O₂ Peso molecular: 338.57 Número EC: 205-559-6

GRADE & PURITY ≥70%

Synonyms

Butyl cis-9-octadecenoate | Elaidic acid, butyl ester | BSPBio_003200 | EINECS 205-559-6 | HY-W127377 | Plasthall 914 | Acetic acid, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]- | butyloleate | SMR000857214 | 1-Butyl oleic acid | LMFA0701

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

A lipid used in biochemical research

Specifications

Sinónimos

Butyl cis-9-octadecenoate | Elaidic acid, butyl ester | BSPBio_003200 | EINECS 205-559-6 | HY-W127377 | Plasthall 914 | Acetic acid, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]- | butyloleate | SMR000857214 | 1-Butyl oleic acid | LMFA0701

Especificaciones y pureza

≥70%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥70%

Nombres e identificadores

Pubchem Sid

508814470

Sonrisas canónicas

CCCCCCCCC=CCCCCCCCC(=O)OCCCC

IUPAC Name

butyl (Z)-octadec-9-enoate

InChIKey

WIBFFTLQMKKBLZ-SEYXRHQNSA-N

INCHI

1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-

Isómeros SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC

WGK Alemania

1

RTECS

RG3711000

Peso molecular

338.57

Reaxy-Rn

9078562

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9078562&ln=

Taxonomic Classification

Taxonomy Tree

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

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

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

• Índice de refracción: 1.448
• Punto de inflamación (°F): 180℃
• Punto de inflamación (°C): 180℃
• Punto de ebullición (°C): 227-228°C
• Punto de fusión (°C): -55℃
• Peso molecular: 338.600 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 338.318 Da
• Monoisotopic Mass: 338.318 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 284.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1