1-(1-Ethoxyethoxy)-4-vinylbenzene - ≥96%,Containing stabilizer TBC , CAS No.157057-20-0

CAS: 157057-20-0 Cat. No.: E404456 Molecular Weight: 192.26

GRADE & PURITY ≥96%, Containing stabilizer TBC

Synonyms

MFCD25978107 | DTNCNFLLRLHPNJ-UHFFFAOYSA-N | AS-48170 | DTXSID40431834 | AKOS024262456 | F19576 | SCHEMBL134315 | SY265550 | 1-ethenyl-4-(1-ethoxyethoxy)benzene | Benzene, 1-ethenyl-4-(1-ethoxyethoxy)- | E1441 | p-(1-Ethoxyethoxy)styrene | 1-(1-Ethoxyetho

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

MFCD25978107 | DTNCNFLLRLHPNJ-UHFFFAOYSA-N | AS-48170 | DTXSID40431834 | AKOS024262456 | F19576 | SCHEMBL134315 | SY265550 | 1-ethenyl-4-(1-ethoxyethoxy)benzene | Benzene, 1-ethenyl-4-(1-ethoxyethoxy)- | E1441 | p-(1-Ethoxyethoxy)styrene | 1-(1-Ethoxyetho

Specifications & Purity

≥96%, Containing stabilizer TBC

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504764986
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764986
• Canonical Smiles: CCOC(C)OC1=CC=C(C=C1)C=C
• IUPAC Name: 1-ethenyl-4-(1-ethoxyethoxy)benzene
• InChIKey: DTNCNFLLRLHPNJ-UHFFFAOYSA-N
• INCHI: 1S/C12H16O2/c1-4-11-6-8-12(9-7-11)14-10(3)13-5-2/h4,6-10H,1,5H2,2-3H3
• Isomeric SMILES: CCOC(C)OC1=CC=C(C=C1)C=C
• Molecular Weight: 192.26
• Reaxy-Rn: 18930889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18930889&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Styrenes Phenoxy compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Styrene - Phenol ether - Monocyclic benzene moiety - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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: 1.52
• Flash Point(°C): 109 °C
• Molecular Weight: 192.250 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.115 Da
• Monoisotopic Mass: 192.115 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1