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

CAS: 591-78-6 Cat. No.: H111491 분자식: C₆H₁₂O 분자량: 100.16 EC 번호: 209-731-1

등급 & 순도 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

사양

동의어

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

사양 및 순도

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

보관 조건

Protected from light,Room temperature

배송

FedEx DG Service

등급

분석 표준물질, 환경 분석을 위해

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

508808066

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CCCCC(=O)C

UN 번호

1224

포장 그룹

I

분자량

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
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water, miscible with ethanol, methanol, and benzene.
• 감도: Light sensitive.
• 굴절률: 1.4
• 발화점(°F): 73°F
• 발화점(°C): 23°C
• 끓는점(°C): 127°C
• 녹는점(°C): -56.9°C
• 분자량: 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