1-Octen-3-one - ≥95%(GC) , CAS No.4312-99-6

CAS: 4312-99-6 Cat. No.: O160047 Fórmula: C₈H₁₄O Peso molecular: 126.2 Número EC: 224-327-5

GRADE & PURITY ≥95%(GC)

Synonyms

1-Octen-3-one, 96% | 1-Octen-3-one, analytical standard | D71008 | O0382 | AKOS007930624 | n-pentyl vinyl ketone | Oct-1-en-3-one | FEMA 3515 | STL557123 | ?1-Octen-3-one | 1-Octen-3-one, 50 wt. % in 1-octen-3-ol, stabilized, FG | Octen-3-one, 1 | UNII-7L

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

1-Octen-3-one is a volatile unsaturated ketone that has a strong mushroom-like odour. 1-Octen-3-one is also a flavour component of the Agaricus bisporus mushroom and is used in a variety of food products.

Specifications

Sinónimos

1-Octen-3-one, 96% | 1-Octen-3-one, analytical standard | D71008 | O0382 | AKOS007930624 | n-pentyl vinyl ketone | Oct-1-en-3-one | FEMA 3515 | STL557123 | ?1-Octen-3-one | 1-Octen-3-one, 50 wt. % in 1-octen-3-ol, stabilized, FG | Octen-3-one, 1 | UNII-7L

Especificaciones y pureza

≥95%(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.

Pureza

≥95%(GC)

Nombres e identificadores

Pubchem Sid

488183484

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183484

Sonrisas canónicas

CCCCCC(=O)C=C

IUPAC Name

oct-1-en-3-one

InChIKey

KLTVSWGXIAYTHO-UHFFFAOYSA-N

INCHI

1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3

Isómeros SMILES

CCCCCC(=O)C=C

WGK Alemania

3

Peso molecular

126.2

Reaxy-Rn

1700905

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700905&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase 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
• Clase: 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
• Descripción: 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: Oxygenated hydrocarbons

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

• Solubilidad: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• Sensibilidad: Air sensitive;Heat sensitive
• Índice de refracción: 1.435
• Punto de inflamación (°F): 95°F
• Punto de inflamación (°C): 35°C
• Punto de ebullición (°C): 60°C/16mmHg
• Peso molecular: 126.200 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 126.104 Da
• Monoisotopic Mass: 126.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.700
• 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