Cyclohexane - HPLC grade, ≥99.9% , CAS No.110-82-7

CAS: 110-82-7 Cat. No.: C100585 Formula: C₆H₁₂ Molecular Weight: 84.16 Beilstein Registry Number: 1900230 EC Number: 203-806-2

GRADE & PURITY HPLC grade, ≥99.9%

Synonyms

ghl.PD_Mitscher_leg0.242|cylohexane|cylcohexane|Hexahydrobenzene|hexahydro-Benzene|cyclo-hexane|Hexamethylene|Hexanaphthene

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

It is saturated hydrocarbon which has a six membered ring-structure,and it is derived from the catalytic hydrogenation of benzene. It is usually used as a solvent for cellulosics, and exists as an intermediate during the production of nylon.
It was used with ethyl acetate as an organic solvent, in dispersice solid-phase extraction, for the determination of pesticide residues in fruits and vegetables.

Specifications

Synonyms

ghl.PD_Mitscher_leg0.242 | cylohexane | cylcohexane | Hexahydrobenzene | hexahydro-Benzene | cyclo-hexane | Hexamethylene | Hexanaphthene

Specifications & Purity

HPLC grade, ≥99.9%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

HPLC grade

Purity

≥99.9%

Names and Identifiers

Pubchem Sid

488180682

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180682

Canonical Smiles

C1CCCCC1

IUPAC Name

cyclohexane

InChIKey

XDTMQSROBMDMFD-UHFFFAOYSA-N

INCHI

1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

Isomeric SMILES

C1CCCCC1

WGK Germany

2

RTECS

GU6300000

UN Number

1145

Packing Group

II

Molecular Weight

84.16

Beilstein

1900230

Reaxy-Rn

1900225

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900225&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: a carbohydrate

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

Associated Targets(Human)

OPN1LW Tbio Long-wave-sensitive opsin 1 (8 Activities)

Discover Target: OPN1LW

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in most organic solvents such as ethanol, ether, benzene and acetone.
• Refractive Index: 1.42623
• Flash Point(°F): -4.0 °F - closed cup
• Flash Point(°C): -20 °C - closed cup
• Boil Point(°C): 80.738°C
• Melt Point(°C): 6 °C
• Molecular Weight: 84.160 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 84.0939 Da
• Monoisotopic Mass: 84.0939 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 15.500
• 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