(E)-4-Hexen-3-one - ≥98% , CAS No.50396-87-7

CAS: 50396-87-7 Cat. No.: E404567 Formula: C₆H₁₀O Peso molecolare: 98.15 Numero EC: 878-668-5

GRADE & PURITY ≥98%

Synonyms

EINECS 219-681-2 | H1735 | 4-HEXEN-3-ONE [FHFI] | CHEBI:89801 | DTXSID90885909 | trans-4-hexene-3-one | 4-HEXEN-3-ONE | (4E)-4-Hexen-3-one | J-015757 | Q27161988 | 2-Hexen-4-one | trans-4-hexen-3-one | FEMA No. 3352 | HEXENE-3-ONE, 4- | DTXSID4047670 | (E

Storage

Room temperature,Argon charged

Panoramica

Maximum Absorption Wavelength:310(EtOH)nm

Specifications

Sinonimi

EINECS 219-681-2 | H1735 | 4-HEXEN-3-ONE [FHFI] | CHEBI:89801 | DTXSID90885909 | trans-4-hexene-3-one | 4-HEXEN-3-ONE | (4E)-4-Hexen-3-one | J-015757 | Q27161988 | 2-Hexen-4-one | trans-4-hexen-3-one | FEMA No. 3352 | HEXENE-3-ONE, 4- | DTXSID4047670 | (E

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488195459

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195459

Sorrisi canonici

CCC(=O)C=CC

IUPAC Name

(E)-hex-4-en-3-one

InChIKey

FEWIGMWODIRUJM-HWKANZROSA-N

INCHI

1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+

Isomeri SMILES

CCC(=O)/C=C/C

Numero UN

1224

Gruppo di imballaggio

III

Peso molecolare

98.15

Reaxy-Rn

1738131

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738131&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.44
• Punto di infiammabilità (°C): 37 °C
• Punto di ebollizione (°C): 137 °C
• Peso molecolare: 98.140 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 82.200
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% 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.

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

The CAS Number is 50396-87-7, the molecular formula is C6H10O, and the molecular weight is 98.15 g/mol. InChIKey FEWIGMWODIRUJM-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.