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

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

GRADE & PURITY ≥95%(GC)

Synonyms

1-Octen-3-ona, 96% | 1-Octen-3-ona, padrão analítico | D71008 | O0382 | AKOS007930624 | n-pentyl vinyl ketone | Oct-1-en-3-ona | FEMA 3515 | STL557123 | ?1-Octen-3-ona | 1-Octen-3-ona, 50 wt. % em 1-octen-3-ol, estabilizado, FG | Octen-3-ona, 1 | UNII-7L

Storage

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Visão geral

a 1-octen-3-ona é uma cetona insaturada volátil com um forte odor a cogumelo. a 1-Octen-3-ona é também um componente aromático do cogumelo Agaricus bisporus e é utilizada numa variedade de produtos alimentares.

Specifications

Sinónimos

1-Octen-3-ona, 96% | 1-Octen-3-ona, padrão analítico | D71008 | O0382 | AKOS007930624 | n-pentyl vinyl ketone | Oct-1-en-3-ona | FEMA 3515 | STL557123 | ?1-Octen-3-ona | 1-Octen-3-ona, 50 wt. % em 1-octen-3-ol, estabilizado, FG | Octen-3-ona, 1 | UNII-7L

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

488183484

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

CCCCCC(=O)C=C

WGK Alemanha

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
    • 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• Sensibilidade: Air sensitive;Heat sensitive
• Índice de refração: 1.435
• Ponto de inflamação (°F): 95°F
• Ponto de inflamação (°C): 35°C
• Ponto de ebulição (°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