2-Pentanone - analytical standard, for environmental analysis, ≥99.8%(GC) , CAS No.107-87-9

CAS: 107-87-9 Cat. No.: P103782 Fórmula: C₅H₁₀O Peso molecular: 86.13 Número EC: 203-528-1

GRADE & PURITY Analytical standard, for Environmental analysis, ≥99.8%(GC)

Synonyms

AMY25524 | Metylopropyloketon | DTXSID0021888 | PENTAN-2-ONE | 2-pentanal | 2-Pentanone, ultrapure grade, >=99.5% | FEMA Number 2842 | UN 1249 | Methyl propyl ketone [UN1249] [Flammable liquid] | 2-Pentanone, 90% | 2-Pentanone | BRN 0506058 | Q209460 | A

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

AMY25524 | Metylopropyloketon | DTXSID0021888 | PENTAN-2-ONE | 2-pentanal | 2-Pentanone, ultrapure grade, >=99.5% | FEMA Number 2842 | UN 1249 | Methyl propyl ketone [UN1249] [Flammable liquid] | 2-Pentanone, 90% | 2-Pentanone | BRN 0506058 | Q209460 | A

Especificaciones y pureza

analytical standard, for environmental analysis, ≥99.8%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

FedEx DG Service

Grado

para el análisis medioambiental, Patrón analítico

Pureza

≥99.8%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCCC(=O)C
• IUPAC Name: pentan-2-one
• InChIKey: XNLICIUVMPYHGG-UHFFFAOYSA-N
• INCHI: 1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
• Isómeros SMILES: CCCC(=O)C
• Número ONU: 1249
• Grupo de embalaje: II
• Peso molecular: 86.13
• Reaxy-Rn: 506058
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506058&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 small molecule

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, soluble in alcohol and ether.
• Sensibilidad: Air sensitive
• Índice de refracción: 1.39
• Punto de inflamación (°F): 46.4 °F
• Punto de inflamación (°C): 8°C
• Punto de ebullición (°C): 102°C
• Punto de fusión (°C): -78°C
• Peso molecular: 86.130 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• 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: 47.900
• 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