2-Hexanone - analytical standard, for environmental analysis, ≥99.5%(GC) , CAS No.591-78-6

CAS: 591-78-6 Cat. No.: H111491 Fórmula: C₆H₁₂O Peso molecular: 100.16 Número EC: 209-731-1

CALIDAD & PUREZA Analytical standard, for Environmental analysis, ≥99.5%(GC)

Synonyms

4-01-00-03298 (Beilstein Handbook Reference) | Methyl butyl ketone | methylbutyl ketone | SCHEMBL43282 | STR04219 | FT-0612492 | METHYL BUTYL KETONE [MI] | n-Butyl methyl ketone | AKOS000118992 | BBL011434 | PD124154 | ?2-Hexanone | MFCD00009482 | LMFA120

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Especificaciones

Sinónimos

4-01-00-03298 (Beilstein Handbook Reference) | Methyl butyl ketone | methylbutyl ketone | SCHEMBL43282 | STR04219 | FT-0612492 | METHYL BUTYL KETONE [MI] | n-Butyl methyl ketone | AKOS000118992 | BBL011434 | PD124154 | ?2-Hexanone | MFCD00009482 | LMFA120

Especificaciones y pureza

analytical standard, for environmental analysis, ≥99.5%(GC)

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

FedEx DG Service

Grado

Analytical standard, for Environmental analysis

Pureza

≥99.5%(GC)

Nombres e identificadores

Pubchem Sid

508808066

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808066

Sonrisas canónicas

CCCCC(=O)C

IUPAC Name

hexan-2-one

InChIKey

QQZOPKMRPOGIEB-UHFFFAOYSA-N

INCHI

1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

Isómeros SMILES

CCCCC(=O)C

Número ONU

1224

Grupo de embalaje

I

Peso molecular

100.16

Reaxy-Rn

1737676

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737676&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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water, miscible with ethanol, methanol, and benzene.
• Sensibilidad: Light sensitive.
• Índice de refracción: 1.4
• Punto de inflamación (°F): 73°F
• Punto de inflamación (°C): 23°C
• Punto de ebullición (°C): 127°C
• Punto de fusión (°C): -56.9°C
• Peso molecular: 100.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• 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: 57.200
• 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