3-Methyl-2-pentanone - ≥98%(GC) , CAS No.565-61-7

CAS: 565-61-7 Cat. No.: M158800 Peso molecular: 100.16 Beilstein Registry Number: 1693 Número EC: 209-282-1

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-19776 | Methyl 1-methylpropyl ketone | NCGC00248679-01 | LMFA12000027 | sec-Butyl methyl ketone | 3-Methyl-2-pentanone, 99% | 3-METHYLPENTAN-2-ONE | EC 209-282-1 | NSC66492 | NSC-66492 | DTXCID801634 | NCGC00258084-01 | methylethylacetone | MFCD0000

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

EN300-19776 | Methyl 1-methylpropyl ketone | NCGC00248679-01 | LMFA12000027 | sec-Butyl methyl ketone | 3-Methyl-2-pentanone, 99% | 3-METHYLPENTAN-2-ONE | EC 209-282-1 | NSC66492 | NSC-66492 | DTXCID801634 | NCGC00258084-01 | methylethylacetone | MFCD0000

Especificaciones y pureza

≥98%(GC)

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.

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488181292
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181292
• Sonrisas canónicas: CCC(C)C(=O)C
• IUPAC Name: 3-methylpentan-2-one
• InChIKey: UIHCLUNTQKBZGK-UHFFFAOYSA-N
• INCHI: 1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
• Isómeros SMILES: CCC(C)C(=O)C
• WGK Alemania: 3
• Número ONU: 1224
• Grupo de embalaje: II
• Peso molecular: 100.16
• Beilstein: 1693
• Reaxy-Rn: 635791
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635791&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

Propiedades químicas y físicas

• Solubilidad: Soluble in alcohol.
• Índice de refracción: 1.4
• Punto de inflamación (°F): 53.6 °F
• Punto de inflamación (°C): 12 °C
• Punto de ebullición (°C): 118-119℃
• 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: 66.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Xiao-Guang Yang, Yan-Hua Mou, Yong-Jun Wang, Jian Wang, Yan-Yu Li, Rui-Heng Kong, Meng Ding, Dun Wang, Chun Guo.  (2019)  Design, Synthesis, and Evaluation of Monoamine Oxidase A Inhibitors–Indocyanine Dyes Conjugates as Targeted Antitumor Agents.  MOLECULES,  24  (7): (1400).  [PMID:30974737] [10.3390/molecules24071400]