2,3-Octandione - ≥97% , CAS No.585-25-1

CAS: 585-25-1 Cat. No.: O589566 Peso molecular: 142.2 Número EC: 209-552-9

GRADE & PURITY ≥97%

Synonyms

Octane-2,3-dione | DTXSID60207215 | FT-0659294 | 2,3-OCTANEDIONE [FHFI] | BS-52954 | EINECS 209-552-9 | SCHEMBL146633 | F72021 | 2,3-Dioxooctane | CHEBI:89053 | AKOS006292900 | NSC7642 | NSC-7642 | A831907 | Q27161226 | 2,3-Octandione | Methyl pentyl dike

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Octane-2, 3-dione | DTXSID60207215 | FT-0659294 | 2, 3-OCTANEDIONE [FHFI] | BS-52954 | EINECS 209-552-9 | SCHEMBL146633 | F72021 | 2, 3-Dioxooctane | CHEBI:89053 | AKOS006292900 | NSC7642 | NSC-7642 | A831907 | Q27161226 | 2, 3-Octandione | Methyl pentyl dike

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, 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

≥97%

Nombres e identificadores

• Pubchem Sid: 504752129
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752129
• Sonrisas canónicas: CCCCCC(=O)C(=O)C
• IUPAC Name: octane-2,3-dione
• InChIKey: XCBBNTFYSLADTO-UHFFFAOYSA-N
• INCHI: 1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3
• Isómeros SMILES: CCCCCC(=O)C(=O)C
• Número NSC: NSC Number': ['7642
• Peso molecular: 142.2
• Reaxy-Rn: 1747221
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747221&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Alpha-diketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Alpha-diketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-diketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent carbon atoms.
• 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

• Peso molecular: 142.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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

Referencias

1. Yimeng Ren, Longzhu Zhou, Chaohua Tang, Jing Li, Yujie Shi, Qingyu Zhao, Junmin Zhang, Yueyu Bai.  (2025)  Characterization of lipid distribution and volatile profile in high-marbling beef of Jiaxian Red cattle.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107374]

2. Mingzhu Zhou, Yiting Lu, Jinyu Yu, Chao Wang, Wei Yu, Liu Shi, Wenjin Wu, Lan Wang, Yu Qiao.  (2025)  Characterization of off-flavor compounds in ready-to-heat roasted catfish after reheating by sensomics approach.  Food Chemistry-X,      [PMID:40831966] [10.1016/j.fochx.2025.102872]

3. Tianyu Dong, Shuwei Wang, Panpan Wu, Jie Sun, Haitao Chen, Shuqi Wang.  (2026)  Unraveling the influence of storage condition on off-flavor generation in fried pepper (Zanthoxylum bungeanum Maxim.) oil during storage through molecular sensory science and simulation experiment.  FOOD CHEMISTRY,      [PMID:41707273] [10.1016/j.foodchem.2026.148415]