5-Methyl-2-hexanone - ≥99% , CAS No.110-12-3

CAS: 110-12-3 Cat. No.: M106666 Fórmula: C₇H₁₄O Peso molecular: 114.19 Beilstein Registry Number: 506163 Número EC: 203-737-8

GRADE & PURITY ≥99%

Synonyms

methylisoamyl ketone | Tox21_201346 | DTXCID801914 | NCGC00249030-01 | 2-Methyl-5-hexanone | I0087 | InChI=1/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H | SCHEMBL35996 | 5-Methylhexan-2-one [UN2302] [Flammable liquid] | 2-hexanone-5-methyl | 3-Methylbutyl meth

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

product description：

5-Methyl-2-hexanone (methyl isoamyl ketone, MIAK) is an aliphatic ketone. Its ability to elicit germination response in uredospores of certain species of rust has been investigated. The near-UV absorption cross section and absorption spectrum of MIAK were measured and employed to determine its photolysis lifetime. The dynamics of the Norrish Type-II reaction of MIAK has been studied using femtosecond time-resolved mass spectrometry.

application：

5-Methyl-2-hexanone may be used to synthesize N,N′-bis(1,4-dimethylpentyl)-p-phenylenediamine (BMPPD) via reductive alkylation of p-nitroaniline in the presence of copper-based catalysts.

Specifications

Sinónimos

methylisoamyl ketone | Tox21_201346 | DTXCID801914 | NCGC00249030-01 | 2-Methyl-5-hexanone | I0087 | InChI=1/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H | SCHEMBL35996 | 5-Methylhexan-2-one [UN2302] [Flammable liquid] | 2-hexanone-5-methyl | 3-Methylbutyl meth

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180660
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180660
• Sonrisas canónicas: CC(C)CCC(=O)C
• IUPAC Name: 5-methylhexan-2-one
• InChIKey: FFWSICBKRCICMR-UHFFFAOYSA-N
• INCHI: 1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
• Isómeros SMILES: CC(C)CCC(=O)C
• WGK Alemania: 1
• RTECS: MP3850000
• Número ONU: 2302
• Grupo de embalaje: III
• Peso molecular: 114.19
• Beilstein: 506163
• Reaxy-Rn: 506163
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506163&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water, easily soluble in most organic solvents.
• Índice de refracción: 1.406
• Punto de inflamación (°F): 104.0 °F - closed cup
• Punto de inflamación (°C): 40°C
• Punto de ebullición (°C): 145°C
• Punto de fusión (°C): -74°C(lit.)
• Peso molecular: 114.190 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 114.104 Da
• Monoisotopic Mass: 114.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.500
• 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 ≥99% 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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 110-12-3, the molecular formula is C7H14O, and the molecular weight is 114.19 g/mol. InChIKey FFWSICBKRCICMR-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.