Methyl isopropyl ketone - ≥99% , CAS No.563-80-4

CAS: 563-80-4 Cat. No.: M103678 Peso molecular: 86.13 Beilstein Registry Number: 1071238 Número EC: 209-264-3

GRADE & PURITY ≥99%

Synonyms

EINECS 209-264-3 | FT-0659813 | Isobutyl-1-methyl ketone | 3-METHYL-2-BUTANONE | 3-Methyl-2-butanone, analytical standard | 3-methyl-butan-2-one | 3-Methylbutan-2-one | iso-C3H7COCH3 | METHYL-2-BUTANONE, 3- | CHEBI:179699 | NCGC00249104-01 | 2-Acetyl prop

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Descripción general

3-Methyl-2-butanone (Methyl isopropyl ketone, MIPK, isopropyl methyl ketone), an aliphatic ketone, is a volatile organic compound. Photodegradation of MIPK in gas-phase has been reported. Asymmetric hydrogenation of MIPK with high enantioselectivity in the presence of Rh-PennPhos (rhodium-P,P′-1,2-phenylenebis(endo-2,5-dialkyl-7-phosphabicyclo[2.2.1]heptane) complex has been reported.
3-Methyl-2-butanone may be used to prepare (R)-3-methyl-2-butanol via asymmetric hydrogenation in the presence of a wool-Pd complex.

Specifications

Sinónimos

EINECS 209-264-3 | FT-0659813 | Isobutyl-1-methyl ketone | 3-METHYL-2-BUTANONE | 3-Methyl-2-butanone, analytical standard | 3-methyl-butan-2-one | 3-Methylbutan-2-one | iso-C3H7COCH3 | METHYL-2-BUTANONE, 3- | CHEBI:179699 | NCGC00249104-01 | 2-Acetyl prop

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

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Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504752090
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752090
• Sonrisas canónicas: CC(C)C(=O)C
• IUPAC Name: 3-methylbutan-2-one
• InChIKey: SYBYTAAJFKOIEJ-UHFFFAOYSA-N
• INCHI: 1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
• Isómeros SMILES: CC(C)C(=O)C
• WGK Alemania: 1
• RTECS: EL9100000
• Número ONU: 2397
• Grupo de embalaje: II
• Peso molecular: 86.13
• Beilstein: 1071238
• Reaxy-Rn: 1071238
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071238&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: a ketone

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: Soluble in water (8.21 mg/ml at 20°C), ether, alcohol, acetone, and ethanol.
• Sensibilidad: air sensitive
• Índice de refracción: 1.3887
• Punto de inflamación (°F): -3 °C
• Punto de inflamación (°C): -3°C
• Punto de ebullición (°C): 94-95°C
• Punto de fusión (°C): -92°C
• Peso molecular: 86.130 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 86.0732 Da
• Monoisotopic Mass: 86.0732 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 55.000
• 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

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