Ethyl 2-trans-4-cis-decadienoate - ≥95% , CAS No.3025-30-7

CAS: 3025-30-7 Cat. No.: E400043 Summenformel: CH₃(CH₂)₄CH=CHCH=CHCO₂C₂H₅ Molekulargewicht: 196.29 Beilstein Registry Number: 1724176 EG-Nummer: 221-178-8

GRADE & PURITY ≥95%

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

Argon charged,Room temperature

Shipped In

Normal

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504763336

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763336

Kanonisches Lächeln

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+

Isomere SMILES

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

WGK Deutschland

1

RTECS

HD3510900

Molekulargewicht

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
    • Klasse Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Brechungsindex: n20/D 1.486
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 70-72 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3025-30-7, the molecular formula is C12H20O2, and the molecular weight is 196.29 g/mol. InChIKey OPCRGEVPIBLWAY-QNRZBPGKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.