4-Methyl-2-pentanone - electronic grade, UPSS grade , CAS No.108-10-1

CAS: 108-10-1 Cat. No.: M1521391 Peso molecular: 100.16 Beilstein Registry Number: 605399 Número EC: 203-550-1 PubChem CID: 7909

GRADE & PURITY Electronic grade, UPSS grade

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

4-Methyl-2-pentanone (Methyl isobutyl ketone, MIBK), an aliphatic ketone, is commonly used as an organic solvent. It is generally used as an extractant in atomic absorption spectrometry.Preparation of MIBK using 2-propanol as the precursor has been reported with yield as high as 25%.The rate constant for the reaction between OH radical and MIBK was found to be 1.40 ± 0.07×1011cm3molecule-1s-1.The kinetics and mechanism of photochemical reaction of MIBK in n-hexane solution has been studied.The microwave spectrum of MIBK has been recorded to obtain its rotational constants and centrifugal distortion constants.

Specifications

Especificaciones y pureza

electronic grade, UPSS grade

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Electronic grade, UPSS grade

Nombres e identificadores

• Sonrisas canónicas: CC(C)CC(=O)C
• IUPAC Name: 4-methylpentan-2-one
• InChIKey: NTIZESTWPVYFNL-UHFFFAOYSA-N
• INCHI: 1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
• Isómeros SMILES: CC(C)CC(=O)C
• WGK Alemania: 1
• RTECS: SA9275000
• PubChem CID: 7909
• Número ONU: 1245
• Grupo de embalaje: II
• Peso molecular: 100.16
• Beilstein: 605399
• Reaxy-Rn: 605399

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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water, easily soluble in most organic solvents.
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.395
• Punto de inflamación (°F): 57.2 °F
• Punto de inflamación (°C): 14°C
• Punto de ebullición (°C): 117-118°C
• Punto de fusión (°C): -80°C
• Peso molecular: 100.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 100.089 Da
• Monoisotopic Mass: 100.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 64.599
• 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

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