Allyl crotonate - ≥97% , CAS No.20474-93-5

CAS: 20474-93-5 Cat. No.: A168419 Fórmula: C₇H₁₀O₂ Peso molecular: 126.157 Número EC: 243-845-2

CALIDAD & PUREZA ≥97%

Synonyms

Free benzylpenicillin | Allyl crotonate | MLS001424200 | ALLYL CROTONATE [FHFI] | Allyl (2E)-2-butenoate # | Allyl (E)-but-2-enoate | allyl but-2-enoate | Idoxuridina | 2-Butenoic acid, 2-propen-1-yl ester | DTXSID401024603 | allylbut-2-enoate | NSC18598

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

Free benzylpenicillin | Allyl crotonate | MLS001424200 | ALLYL CROTONATE [FHFI] | Allyl (2E)-2-butenoate # | Allyl (E)-but-2-enoate | allyl but-2-enoate | Idoxuridina | 2-Butenoic acid, 2-propen-1-yl ester | DTXSID401024603 | allylbut-2-enoate | NSC18598

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488195402

Sonrisas canónicas

CC=CC(=O)OCC=C

IUPAC Name

prop-2-enyl (E)-but-2-enoate

InChIKey

WNJBUWVXSNLWEQ-HWKANZROSA-N

INCHI

1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-5H,2,6H2,1H3/b5-3+

Isómeros SMILES

C/C=C/C(=O)OCC=C

Peso molecular

126.157

Reaxy-Rn

17019867

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17019867&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: 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

Propiedades químicas y físicas

• Índice de refracción: 1.4465
• Punto de inflamación (°F): 118°F
• Punto de inflamación (°C): 48°C
• Punto de ebullición (°C): 63-65℃
• Peso molecular: 126.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• 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: 125.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 20474-93-5, the molecular formula is C7H10O2, and the molecular weight is 126.157 g/mol. InChIKey WNJBUWVXSNLWEQ-HWKANZROSA-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.