Butyl Methyl Ether - ≥99%(GC) , CAS No.628-28-4

CAS: 628-28-4 Cat. No.: B152821 Molecular Weight: 88.15 Beilstein Registry Number: 1696930 EC Number: 211-033-7

GRADE & PURITY ≥99%(GC)

Synonyms

BUTYL METHYL ETHER | alpha-Methoxybutane | DTXSID5074559 | BuOMe | Butane, 1-methoxy- | buthyl methly ester | EINECS 211-033-7 | n-Butyl methyl ether | n-C4H9OCH3 | butylmethyl ether | Butyl methyl ether [UN2350] [Flammable liquid] | D91343 | UN 2350 | U

Storage

Room temperature,Argon charged

Shipped In

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Overview

Gas-phase reaction of the OH radical with butyl methyl ether in the presence of NO has been investigated by GC and in situ atmospheric pressure ionization tandem mass spectrometry.

Specifications

Synonyms

BUTYL METHYL ETHER | alpha-Methoxybutane | DTXSID5074559 | BuOMe | Butane, 1-methoxy- | buthyl methly ester | EINECS 211-033-7 | n-Butyl methyl ether | n-C4H9OCH3 | butylmethyl ether | Butyl methyl ether [UN2350] [Flammable liquid] | D91343 | UN 2350 | U

Specifications & Purity

≥99%(GC)

Storage

Room temperature, Argon charged

Shipped In

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This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 488181629
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181629
• Canonical Smiles: CCCCOC
• IUPAC Name: 1-methoxybutane
• InChIKey: CXBDYQVECUFKRK-UHFFFAOYSA-N
• INCHI: 1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3
• Isomeric SMILES: CCCCOC
• WGK Germany: 3
• RTECS: KN5240000
• UN Number: 2350
• Packing Group: II
• Molecular Weight: 88.15
• Beilstein: 1696930
• Reaxy-Rn: 1696931
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696931&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 acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic 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

• Sensitivity: Air sensitive
• Refractive Index: 1.374
• Flash Point(°F): 14 °F
• Flash Point(°C): -10°C
• Boil Point(°C): 70-71 °C
• Melt Point(°C): -115°C
• Molecular Weight: 88.150 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 88.0888 Da
• Monoisotopic Mass: 88.0888 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 19.900
• 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