Butyl ether - anhydrous, ≥99.3% , CAS No.142-96-1

CAS: 142-96-1 Cat. No.: B119693 Molecular Weight: 130.23 Beilstein Registry Number: 1732752 EC Number: 205-575-3

GRADE & PURITY Anhydrous Grade, ≥99.3%

Synonyms

di-1-butyl ether | 1,1'-Oxybisbutane | 1-Butoxybutane | 1-Butoxy-butane | di n-butylether | NCGC00248903-01 | AI3-00402 | DTXSID1022007 | NCGC00258590-01 | AKOS015915425 | HSDB 306 | n-butylether | DIBUTYL ETHER | FT-0625171 | BRN 1732752 | LS-13538 | J-5

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

di-1-butyl ether | 1, 1'-Oxybisbutane | 1-Butoxybutane | 1-Butoxy-butane | di n-butylether | NCGC00248903-01 | AI3-00402 | DTXSID1022007 | NCGC00258590-01 | AKOS015915425 | HSDB 306 | n-butylether | DIBUTYL ETHER | FT-0625171 | BRN 1732752 | LS-13538 | J-5

Specifications & Purity

anhydrous, ≥99.3%

Storage

Room temperature

Shipped In

FedEx DG Service

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

Grade

Anhydrous Grade

Purity

≥99.3%

Names and Identifiers

• Pubchem Sid: 504751764
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751764
• Canonical Smiles: CCCCOCCCC
• IUPAC Name: 1-butoxybutane
• InChIKey: DURPTKYDGMDSBL-UHFFFAOYSA-N
• INCHI: 1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
• Isomeric SMILES: CCCCOCCCC
• WGK Germany: 2
• RTECS: EK5425000
• UN Number: 1149
• Packing Group: III
• Molecular Weight: 130.23
• Beilstein: 1732752
• Reaxy-Rn: 1732752
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732752&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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.3992
• Flash Point(°F): 77 °F
• Flash Point(°C): （closed cup）37℃
• Boil Point(°C): 142-143°C
• Melt Point(°C): -98°C
• Molecular Weight: 130.229 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 130.136 Da
• Monoisotopic Mass: 130.136 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 37.800
• 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

References

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