5-Methyl-2,4-hexanedione - ≥97% , CAS No.7307-03-1

CAS: 7307-03-1 Cat. No.: M479415 Summenformel: C₇H₁₂O₂ Molekulargewicht: 128.17 EG-Nummer: 825-999-8

GRADE & PURITY ≥97%

Synonyms

5-Methyl-2,4-hexanedione, AldrichCPR | 4-HEXEN-3-ONE,5-HYDROXY | AKOS004115496 | 2,4-Hexanedione, 5-methyl- | Z1021460926 | 5-HYDROXY-4-HEXEN-3-ONE | 5-methyl-hexane-2,4-dione | 5-methylhexane-2,4-dione | 5-Methylhexane-2,4-dione, keto form | SCHEMBL18200

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

5-Methyl-2,4-hexanedione, AldrichCPR | 4-HEXEN-3-ONE,5-HYDROXY | AKOS004115496 | 2,4-Hexanedione, 5-methyl- | Z1021460926 | 5-HYDROXY-4-HEXEN-3-ONE | 5-methyl-hexane-2,4-dione | 5-methylhexane-2,4-dione | 5-Methylhexane-2,4-dione, keto form | SCHEMBL18200

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC(C)C(=O)CC(=O)C

IUPAC Name

5-methylhexane-2,4-dione

InChIKey

KHZGUWAFFHXZLC-UHFFFAOYSA-N

INCHI

1S/C7H12O2/c1-5(2)7(9)4-6(3)8/h5H,4H2,1-3H3

Isomere SMILES

CC(C)C(=O)CC(=O)C

Molekulargewicht

128.17

Reaxy-Rn

969824

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969824&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 1,3-dicarbonyl compounds
          • Ebene6 Beta-diketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: 1,3-dicarbonyl compounds
• Direct Parent: Beta-diketones
• Alternative Parents: Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-diketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light & Moisture sensitive
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Molekulargewicht: 128.169 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 34.100 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: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1