Allyl Butyl Ether - ≥97%(GC) , CAS No.3739-64-8

CAS: 3739-64-8 Cat. No.: A151096 Formula: C₇H₁₄O Molecular Weight: 114.19 Beilstein Registry Number: 1(4)2084 EC Number: 223-122-8

GRADE & PURITY ≥97%(GC)

Synonyms

Allyl butyl ether, 98% | 1-prop-2-enoxybutane | 3-Butoxy-1-propene # | 1-(prop-2-en-1-yloxy)butane | D88441 | (1S,4S)-(+)-2-(2,4-difluoro-benzyl)-2,5-diaza-bicyclo[2.2.1]heptane | AKOS015912465 | EINECS 223-122-8 | Allyl n- butyl ether | SCHEMBL42944 | AL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Allyl butyl ether, 98% | 1-prop-2-enoxybutane | 3-Butoxy-1-propene # | 1-(prop-2-en-1-yloxy)butane | D88441 | (1S,4S)-(+)-2-(2,4-difluoro-benzyl)-2,5-diaza-bicyclo[2.2.1]heptane | AKOS015912465 | EINECS 223-122-8 | Allyl n- butyl ether | SCHEMBL42944 | AL

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%(GC)

Names and Identifiers

Pubchem Sid

504755166

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755166

Canonical Smiles

CCCCOCC=C

IUPAC Name

1-prop-2-enoxybutane

InChIKey

IBTLFDCPAJLATQ-UHFFFAOYSA-N

INCHI

1S/C7H14O/c1-3-5-7-8-6-4-2/h4H,2-3,5-7H2,1H3

Isomeric SMILES

CCCCOCC=C

Molecular Weight

114.19

Beilstein

1(4)2084

Reaxy-Rn

1699588

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699588&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

• Refractive Index: 1.406
• Flash Point(°C): 14 °C
• Boil Point(°C): 120 °C
• Molecular Weight: 114.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• 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: 50.300
• 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 ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 3739-64-8, the molecular formula is C7H14O, and the molecular weight is 114.19 g/mol. InChIKey IBTLFDCPAJLATQ-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.