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

CAS: 591-78-6 Cat. No.: H111491 分子式: C₆H₁₂O 分子量: 100.16 EC番号: 209-731-1

グレード＆純度 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

仕様

同義語

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

仕様と純度

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

保管条件

Protected from light,Room temperature

入荷

FedEx DG Service

等級

分析用標準物質, 環境分析用

純度

≥99.5%(GC)

名前と識別子

パブケム・シド

508808066

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCCCC(=O)C

UN番号

1224

包装グループ

I

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water, miscible with ethanol, methanol, and benzene.
• 感度: Light sensitive.
• 屈折率: 1.4
• 引火点（°F）: 73°F
• 引火点（°C）: 23°C
• 沸点（°C）: 127°C
• 融点（°C）: -56.9°C
• 分子量: 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