Allyl Ether - ≥98%(GC) , CAS No.557-40-4

CAS: 557-40-4 Cat. No.: A151191 Formula: C₆H₁₀O Molecular Weight: 98.15 Beilstein Registry Number: 1(4)2086 EC Number: 209-174-4

GRADE & PURITY ≥98%(GC)

Synonyms

3-(allyloxy)prop-1-ene|3-prop-2-enoxyprop-1-ene|Diallylether|Allyl ether (Diallyl ether)|1-Propene,3'-oxybis-|3-(Allyloxy)-1-propene #|3,3'-OXYBIS-1-PROPENE|3,3'-Oxybis(1-propene)|Diallyl ether|ALLYL ETHER [MI]|Diallylether [UN2360] [Flammable liquid]|(CH2=CHCH2)2O|ALLYL ETHER|monoallyl ether|Allylether|3,3'-oxybis(prop-1-ene)|3-allyloxyprop-1-ene|1-Propene, 3,3'-oxybis-|3-prop-2-enoxy-1-propene|Ether, diallyl|Ether, propenyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

Allyl Ether is a modifier used in the manufacture of foamable polystyrene

Specifications

Synonyms

3-(allyloxy)prop-1-ene | 3-prop-2-enoxyprop-1-ene | Diallylether | Allyl ether (Diallyl ether) | 1-Propene,3'-oxybis- | 3-(Allyloxy)-1-propene # | 3,3'-OXYBIS-1-PROPENE | 3,3'-Oxybis(1-propene) | Diallyl ether | ALLYL ETHER [MI] | Diallylether [UN2360] [Flammable liquid] | (CH2=CHCH2)2O | ALLYL ETHER | monoallyl ether | Allylether | 3,3' Show more

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

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

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488181283

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181283

Canonical Smiles

C=CCOCC=C

IUPAC Name

3-prop-2-enoxyprop-1-ene

InChIKey

ATVJXMYDOSMEPO-UHFFFAOYSA-N

INCHI

1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

Isomeric SMILES

C=CCOCC=C

RTECS

KN7525000

UN Number

2360

Packing Group

II

Molecular Weight

98.15

Beilstein

1(4)2086

Reaxy-Rn

1736015

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736015&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

• Solubility: Chloroform, Methanol (Slightly)
• Sensitivity: Air sensitive；Light sensitive
• x_refractive_index: 1.416
• x_flash_point_drop_fahrenheit: -7°C(lit.)
• x_flash_point_drop_centigrade: -7°C(lit.)
• x_boil_point_char: 94°C
• Molecular Weight: 98.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 49.200
• 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