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

CAS: 1678-91-7 Cat. No.: E108914 Formula: C₈H₁₆ Molecular Weight: 112.21 Beilstein Registry Number: 1900337 EC Number: 216-835-0

GRADE & PURITY 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

Specifications

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

Specifications & Purity

Standard for GC, ≥99.8%

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

Standard for GC

Purity

≥99.8%

Names and Identifiers

Pubchem Sid

508811798

Canonical Smiles

CCC1CCCCC1

IUPAC Name

ethylcyclohexane

InChIKey

IIEWJVIFRVWJOD-UHFFFAOYSA-N

INCHI

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

Isomeric SMILES

CCC1CCCCC1

WGK Germany

3

UN Number

1993

Packing Group

I

Molecular Weight

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
    • Class Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.433
• Flash Point(°F): 64.4 °F
• Flash Point(°C): 35℃
• Boil Point(°C): 131.8°C
• Melt Point(°C): -111.31°C
• Molecular Weight: 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