Ethylcyclohexane - Standard for GC, ≥99.8% , CAS No.1678-91-7

CAS: 1678-91-7 Cat. No.: E108914 分子式: C₈H₁₆ 分子量: 112.21 Beilstein Registry Number: 1900337 EC番号: 216-835-0

グレード＆純度 Standard for GC, ≥99.8%

Synonyms

1-ETHYL-CYCLOHEXANECARBALDEHYDE | AI3-15348 | Cyclohexane, ethyl- | DTXCID4030334 | LS-13496 | UNII-567IJI1215 | E0073 | SWACLEAN ECH | EINECS 216-835-0 | QSPL 100 | A810916 | Tox21_303745 | NSC8880 | NSC-8880 | J-010406 | Q21024279 | WLN: L6TJ A2 | 567IJ

Storage

Room temperature

Shipped In

FedEx DG Service

仕様

同義語

1-ETHYL-CYCLOHEXANECARBALDEHYDE | AI3-15348 | Cyclohexane, ethyl- | DTXCID4030334 | LS-13496 | UNII-567IJI1215 | E0073 | SWACLEAN ECH | EINECS 216-835-0 | QSPL 100 | A810916 | Tox21_303745 | NSC8880 | NSC-8880 | J-010406 | Q21024279 | WLN: L6TJ A2 | 567IJ

仕様と純度

Standard for GC, ≥99.8%

保管条件

Room temperature

入荷

FedEx DG Service

等級

Standard for GC

純度

≥99.8%

名前と識別子

パブケム・シド

508811798

カノニカル・スマイル

CCC1CCCCC1

IUPAC Name

ethylcyclohexane

InChIKey

IIEWJVIFRVWJOD-UHFFFAOYSA-N

INCHI

1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3

異性体SMILES

CCC1CCCCC1

WGKドイツ

3

UN番号

1993

包装グループ

I

分子量

112.21

Beilstein

1900337

Reaxy-Rn

1900337

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900337&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• External Descriptors: 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

• 屈折率: 1.433
• 引火点（°F）: 64.4 °F
• 引火点（°C）: 35℃
• 沸点（°C）: 131.8°C
• 融点（°C）: -111.31°C
• 分子量: 112.210 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 51.100
• 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