2-Hexanone - étalon analytique, pour l'analyse environnementale, ≥99,5% (GC) , CAS No.591-78-6

CAS: 591-78-6 Cat. No.: H111491 Formule: C₆H₁₂O Poids moléculaire: 100.16 Numéro CE: 209-731-1

QUALITÉ & PURETÉ Analytical standard, for Environmental analysis, ≥99.5%(GC)

Synonyms

4-01-00-03298 (Beilstein Handbook Reference) | Méthylbutylcétone | méthylbutylcétone | SCHEMBL43282 | STR04219 | FT-0612492 | METHYL BUTYL KETONE [MI] | n-Butylméthylcétone | AKOS000118992 | BBL011434 | PD124154 | ?2-Hexanone | MFCD00009482 | LMFA120

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Spécifications

Synonymes

4-01-00-03298 (Beilstein Handbook Reference) | Méthylbutylcétone | méthylbutylcétone | SCHEMBL43282 | STR04219 | FT-0612492 | METHYL BUTYL KETONE [MI] | n-Butylméthylcétone | AKOS000118992 | BBL011434 | PD124154 | ?2-Hexanone | MFCD00009482 | LMFA120

Spécifications et pureté

étalon analytique, pour l'analyse environnementale, ≥99,5% (GC)

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

FedEx DG Service

Grade

Étalon d'analyse, pour l'analyse environnementale

Pureté

≥99.5%(GC)

Noms et identifiants

Pubchem Sid

508808066

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CCCCC(=O)C

Numéro ONU

1224

Groupe d'emballage

I

Poids moléculaire

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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water, miscible with ethanol, methanol, and benzene.
• Sensibilité: Light sensitive.
• Indice de réfraction: 1.4
• Point d'éclair (°F): 73°F
• Point d'éclair (°C): 23°C
• Point d'ébullition (°C): 127°C
• Point de fusion (°C): -56.9°C
• Poids moléculaire: 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