Ethyl 2,3-pentadienoate - technical grade, ≥85% , CAS No.74268-51-2

CAS: 74268-51-2 Cat. No.: E477124 Formula: C₇H₁₀O₂ Molecular Weight: 126.15 EC Number: 686-926-1

GRADE & PURITY Technical grade, ≥85%

Synonyms

SCHEMBL307663 | ethyl penta-2,3-dienoate | DTXSID90336421 | EN300-7463694 | Ethyl 2,3-pentadienoate | starbld0014084 | 2,3-Pentadienoic acid-, ethyl ester | JGEKOPSQLCPNGA-UHFFFAOYSA-N | AKOS006371277 | Ethyl 2,3-pentadienoate, technical grade, >85% | pen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SCHEMBL307663 | ethyl penta-2,3-dienoate | DTXSID90336421 | EN300-7463694 | Ethyl 2,3-pentadienoate | starbld0014084 | 2,3-Pentadienoic acid-, ethyl ester | JGEKOPSQLCPNGA-UHFFFAOYSA-N | AKOS006371277 | Ethyl 2,3-pentadienoate, technical grade, >85% | pen

Specifications & Purity

technical grade, ≥85%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Technical grade

Purity

≥85%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C=C=CC
• InChIKey: JGEKOPSQLCPNGA-UHFFFAOYSA-N
• INCHI: 1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3,6H,4H2,1-2H3
• Isomeric SMILES: CCOC(=O)C=C=CC
• WGK Germany: 3
• Molecular Weight: 126.15
• Reaxy-Rn: 4230060
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4230060&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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: 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

Chemical and Physical Properties

• x_flash_point_drop_fahrenheit: 123.8 °F
• x_flash_point_drop_centigrade: 51 °C
• Molecular Weight: 126.150 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 126.068 Da
• Monoisotopic Mass: 126.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 141.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥85% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does technical grade mean?

technical grade indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 74268-51-2, the molecular formula is C7H10O2, and the molecular weight is 126.15 g/mol. InChIKey JGEKOPSQLCPNGA-UHFFFAOYSA-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.