Methoxycyclohexane - ≥98% , CAS No.931-56-6

CAS: 931-56-6 Cat. No.: M158042 Formula: C₇H₁₄O Molecular Weight: 114.19 EC Number: 805-874-4

GRADE & PURITY ≥98%

Synonyms

Methyl cyclohexyl ether|Ether, cyclohexyl methyl|ANISOLE, HEXAHYDRO-|Cyclohexane, methoxy-|cyclohexylmethyl ether|Cyclohexyl methyl ether|METHOXYCYCLOHEXANE|methoxy-cyclohexane|CyOMe|1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXYLICACIDETHYLESTER|1-Methoxycyclohexane|(+/-)-2-methoxycyclohexane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Methyl cyclohexyl ether | Ether, cyclohexyl methyl | ANISOLE, HEXAHYDRO- | Cyclohexane, methoxy- | cyclohexylmethyl ether | Cyclohexyl methyl ether | METHOXYCYCLOHEXANE | methoxy-cyclohexane | CyOMe | 1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXYLICACIDETHYLESTER | 1-Methoxycyclohexane | (+/-)-2-methoxycyclohexane

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488181875

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181875

Canonical Smiles

COC1CCCCC1

IUPAC Name

methoxycyclohexane

InChIKey

GHDIHPNJQVDFBL-UHFFFAOYSA-N

INCHI

1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3

Isomeric SMILES

COC1CCCCC1

Molecular Weight

114.19

Reaxy-Rn

1847598

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1847598&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Refractive Index: 1.44
• Flash Point(°C): 21 °C
• Boil Point(°C): 135°C(lit.)
• Melt Point(°C): -74°C(lit.)
• Molecular Weight: 114.190 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 114.104 Da
• Monoisotopic Mass: 114.104 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 55.400
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 931-56-6, the molecular formula is C7H14O, and the molecular weight is 114.19 g/mol. InChIKey GHDIHPNJQVDFBL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.