5-Methyl-2,3-hexanedione - ≥94% , CAS No.13706-86-0

CAS: 13706-86-0 Cat. No.: M102529 Formula: C₇H₁₂O₂ Peso molecolare: 128.17 Numero EC: 237-241-8

QUALITÀ & PUREZZA ≥94%

Synonyms

M0752 | METHYL-2,3-HEXANEDIONE, 5- | EINECS 237-241-8 | Tox21_202802 | 5-Methyl-2,3-hexanedione | FT-0704355 | Acetyl isopentanoyl | Acetyl isovaleryl | 2,3-HEXANEDIONE, 5-METHYL- | 2-Methylhexa-4,5-dione | Methylhexanedione | 4-01-00-03701 (Beilstein Han

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

M0752 | METHYL-2,3-HEXANEDIONE, 5- | EINECS 237-241-8 | Tox21_202802 | 5-Methyl-2,3-hexanedione | FT-0704355 | Acetyl isopentanoyl | Acetyl isovaleryl | 2,3-HEXANEDIONE, 5-METHYL- | 2-Methylhexa-4,5-dione | Methylhexanedione | 4-01-00-03701 (Beilstein Han

Specifiche e purezza

≥94%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥94%

Nomi e identificatori

Sorrisi canonici

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

IUPAC Name

5-methylhexane-2,3-dione

InChIKey

PQCLJXVUAWLNSV-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

RTECS

MO3200000

Numero UN

1224

Peso molecolare

128.17

Reaxy-Rn

1745751

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745751&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Light Sensitive,Hygroscopic
• Indice di rifrazione: 1.41
• Punto di infiammabilità (°F): 26°C
• Punto di infiammabilità (°C): 26°C
• Punto di ebollizione (°C): 138°C
• Peso molecolare: 128.169 g/mol
• XLogP3: 0.900
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥94% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 13706-86-0, the molecular formula is C7H12O2, and the molecular weight is 128.17 g/mol. InChIKey PQCLJXVUAWLNSV-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.