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

CAS: 108-10-1 Cat. No.: M1521391 Fórmula: C₆H₁₂O 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

Grado

Calidad electrónica, Nivel UPSS

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

Preguntas frecuentes

What does electronic grade mean?

electronic grade indicates that the material has been processed and tested for semiconductor and electronics manufacturing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

What does UPSS grade mean?

UPSS grade indicates that the material has been processed and tested for semiconductor and electronics manufacturing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

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 108-10-1, the molecular formula is C6H12O, and the molecular weight is 100.16 g/mol. InChIKey NTIZESTWPVYFNL-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.