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

CAS: 107-87-9 Cat. No.: P103782 분자식: C₅H₁₀O 분자량: 86.13 EC 번호: 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

동의어

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

사양 및 순도

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

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

등급

분석 표준물질, 환경 분석을 위해

순수함

≥99.8%(GC)

이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: CCCC(=O)C
• UN 번호: 1249
• 포장 그룹: II
• 분자량: 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
    • 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: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water, soluble in alcohol and ether.
• 감도: Air sensitive
• 굴절률: 1.39
• 발화점(°F): 46.4 °F
• 발화점(°C): 8°C
• 끓는점(°C): 102°C
• 녹는점(°C): -78°C
• 분자량: 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