Ethyl 2-trans-4-cis-decadienoate - analytical standard, ≥97%(GC) , CAS No.3025-30-7

CAS: 3025-30-7 Cat. No.: E138634 Fórmula: CH₃(CH₂)₄CH=CHCH=CHCO₂C₂H₅ Peso molecular: 196.29 Beilstein Registry Number: 1724176 Número EC: 221-178-8

GRADE & PURITY Analytical standard, ≥97%(GC)

Synonyms

2,4-Decadienoic acid, ethyl ester, (2E,4Z)- | Ethyl ester(2E,4Z)-2,4-Decadienoic acid | ETHYL (2E,4Z)-DECA-2,4-DIENOATE [MI] | ETHYL TRANS-2,CIS-4-DECADIENOATE [FHFI] | Ethyl (2E,4E)-2,4-decadienoate | Ethyl 2-trans-4-cis-decadienoate, natural, >=95%, FG

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

It can be used for the profile enhancement of guava, melon, pear, apple, banana, kiwi, grape, golden delicious apple, fruit cocktail juices, fruit nectar, mamey and other tropical backgrounds.

Specifications

Sinónimos

2,4-Decadienoic acid, ethyl ester, (2E,4Z)- | Ethyl ester(2E,4Z)-2,4-Decadienoic acid | ETHYL (2E,4Z)-DECA-2,4-DIENOATE [MI] | ETHYL TRANS-2,CIS-4-DECADIENOATE [FHFI] | Ethyl (2E,4E)-2,4-decadienoate | Ethyl 2-trans-4-cis-decadienoate, natural, >=95%, FG

Especificaciones y pureza

analytical standard, ≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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

Grado

Patrón analítico

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

508807733

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807733

Sonrisas canónicas

CCCCCC=CC=CC(=O)OCC

IUPAC Name

ethyl (2E,4Z)-deca-2,4-dienoate

InChIKey

OPCRGEVPIBLWAY-QNRZBPGKSA-N

INCHI

1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+

Isómeros SMILES

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

WGK Alemania

1

RTECS

HD3510900

Peso molecular

196.29

Beilstein

1724176

Reaxy-Rn

29741547

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29741547&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: Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate 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: Wax monoesters

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 acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive.
• Índice de refracción: n20/D 1.486
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 70-72 °C
• Peso molecular: 196.290 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 196.146 Da
• Monoisotopic Mass: 196.146 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 192.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1