Ethyl oleate - 10mM in DMSO , CAS No.111-62-6

CAS: 111-62-6 Cat. No.: E420626 Fórmula: C₂₀H₃₈O₂ Peso molecular: 310.51 Beilstein Registry Number: 1727318 Número CE: 203-889-5

GRADE & PURITY 10mM in DMSO

Synonyms

AI3-00657 | 2-Allyloxymethyl-oxirane | DTXCID1027633 | Ethyl cis-9-octadecenoate | ETHYL OLEATE [FCC] | s5367 | EN300-1724742 | NSC229428 | NSC-229428 | CHEBI:84940 | ETHYL OLEATE [FHFI] | UNII-Z2Z439864Y | Z2Z439864Y | Ethyl (9Z)-9-octadecenoate # | Ethy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Usually used to prepare the oily phase of self-microemulsifying drug delivery system (SMEDDS) for tacrolimus (Tac).

Specifications

Sinónimos

AI3-00657 | 2-Allyloxymethyl-oxirane | DTXCID1027633 | Ethyl cis-9-octadecenoate | ETHYL OLEATE [FCC] | s5367 | EN300-1724742 | NSC229428 | NSC-229428 | CHEBI:84940 | ETHYL OLEATE [FHFI] | UNII-Z2Z439864Y | Z2Z439864Y | Ethyl (9Z)-9-octadecenoate # | Ethy

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Nomes e identificadores

Pubchem Sid

528772893

Sorrisos canónicos

CCCCCCCCC=CCCCCCCCC(=O)OCC

IUPAC Name

ethyl (Z)-octadec-9-enoate

InChIKey

LVGKNOAMLMIIKO-QXMHVHEDSA-N

INCHI

1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-

SMILES isoméricas

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

WGK Alemanha

2

RTECS

RG3715000

CAS alternativo

85049-36-1

Peso molecular

310.51

Beilstein

1727318

Reaxy-Rn

1727317

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727317&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrição: 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: long-chain fatty acid ethyl 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

Propriedades químicas e físicas

• Sensibilidade: Light & Air Sensitive.
• Índice de refração: 1.451
• Ponto de inflamação (°C): 181℃
• Ponto de ebulição (°C): 216-218 °C/15 mmHg
• Ponto de fusão (°C): -32°C
• Peso molecular: 310.500 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 310.287 Da
• Monoisotopic Mass: 310.287 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 258.000
• 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