Cyclopentyl methyl ether(CPME) - ≥99.5%, contains 50 ppm BHT as stabilizer , CAS No.5614-37-9

CAS: 5614-37-9 Cat. No.: C742607 Formula: C₆H₁₂O Molecular Weight: 100.16 Beilstein Registry Number: 6(4)6 EC Number: 611-360-9

GRADE & PURITY ≥99.5%, contains 50 ppm BHT as stabilizer

Synonyms

CPME | Methoxycyclopentane(stabilized with BHT)

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

CPME | Methoxycyclopentane(stabilized with BHT)

Specifications & Purity

≥99.5%, contains 50 ppm BHT as stabilizer

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Purity

≥99.5%

Names and Identifiers

Pubchem Sid

528773271

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528773271

Canonical Smiles

COC1CCCC1

IUPAC Name

methoxycyclopentane

InChIKey

SKTCDJAMAYNROS-UHFFFAOYSA-N

INCHI

1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3

Isomeric SMILES

COC1CCCC1

WGK Germany

3

UN Number

3271

Packing Group

II

Molecular Weight

100.16

Beilstein

6(4)6

Reaxy-Rn

1918999

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1918999&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

• Solubility: Solubility in water: 11 g / L 23 ° C Water solubility: slightly soluble
• Sensitivity: Air sensitive；Light sensitive
• x_refractive_index: 1.42
• x_flash_point_drop_fahrenheit: 30.2℉
• x_flash_point_drop_centigrade: -1°C
• x_boil_point_char: 106°C
• x_melt_point_char: -134°C
• Molecular Weight: 100.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 100.089 Da
• Monoisotopic Mass: 100.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• 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