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

CAS: 628-28-4 Cat. No.: B152821 Formula: C₅H₁₂O 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

FedEx DG Service

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

FedEx DG Service

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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 628-28-4, the molecular formula is C5H12O, and the molecular weight is 88.15 g/mol. InChIKey CXBDYQVECUFKRK-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.