Hexane-2,4-dione - ≥97% , CAS No.3002-24-2

CAS: 3002-24-2 Cat. No.: H192611 Fórmula: C₆H₁₀O₂ Peso molecular: 114.14 Número EC: 221-094-1

GRADE & PURITY ≥97%

Synonyms

BCP27542 | DTXSID0062769 | Q26841317 | SCHEMBL93362 | AMY2701 | Propionylacetone | BRN 1071471 | Acetone, propionyl- | AI3-19251 | EINECS 221-094-1 | AKOS004115480 | FMD32E86EP | hexane-2,4-dione | UNII-FMD32E86EP | MFCD00009318 | A15462 | NSC88937 | NSC-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BCP27542 | DTXSID0062769 | Q26841317 | SCHEMBL93362 | AMY2701 | Propionylacetone | BRN 1071471 | Acetone, propionyl- | AI3-19251 | EINECS 221-094-1 | AKOS004115480 | FMD32E86EP | hexane-2,4-dione | UNII-FMD32E86EP | MFCD00009318 | A15462 | NSC88937 | NSC-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504755050

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755050

Sonrisas canónicas

CCC(=O)CC(=O)C

IUPAC Name

hexane-2,4-dione

InChIKey

NDOGLIPWGGRQCO-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3

Isómeros SMILES

CCC(=O)CC(=O)C

Peso molecular

114.14

Reaxy-Rn

1071471

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071471&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 1,3-dicarbonyl compounds
          • Level6 Beta-diketones

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

Propiedades químicas y físicas

• Peso molecular: 114.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 105.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 3002-24-2, the molecular formula is C6H10O2, and the molecular weight is 114.14 g/mol. InChIKey NDOGLIPWGGRQCO-UHFFFAOYSA-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.