1-Ethoxy-4-(p-tolylethynyl)benzene

Base Information

• Chemical Name: 1-Ethoxy-4-(p-tolylethynyl)benzene
• CAS No.: 116903-46-9
• Molecular Formula: C17H16O
• Molecular Weight: 236.31
• European Community (EC) Number: 601-457-4
• DSSTox Substance ID: DTXSID80360937
• Nikkaji Number: J2.628.795B
• Wikidata: Q72471796
• Mol file: 116903-46-9.mol

Synonyms:116903-46-9;1-ethoxy-4-(p-tolylethynyl)benzene;1-ETHOXY-4-[2-(4-METHYLPHENYL)ETHYNYL]BENZENE;1-ETHOXY-4-(2-P-TOLYLETHYNYL)BENZENE;Benzene, 1-ethoxy-4-[2-(4-methylphenyl)ethynyl]-;1-Ethoxy-4-[(4-methylphenyl)ethynyl]benzene;MFCD01817758;1-(2-(4-Ethoxyphenyl)ethynyl)-4-methylbenzene;1-Ethoxy-4-[(4-methylphenyl)ethynyl]-benzene;SCHEMBL4801213;DTXSID80360937;AKOS022177301;AB91807;CS-W012873;DS-13539;SY111050;E1342;FT-0687694;A893484

Chemical Property of 1-Ethoxy-4-(p-tolylethynyl)benzene

Chemical Property:

• Appearance/Colour: cream
• Vapor Pressure: 3.27E-05mmHg at 25°C
• Melting Point: 108 °C
• Refractive Index: 1.587
• Boiling Point: 365.6 °C at 760 mmHg
• Flash Point: 172.3 °C
• PSA: 9.23000
• Density: 1.06 g/cm³
• LogP: 3.79350
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 236.120115130
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

99%, ^*data from raw suppliers

1-Ethoxy-4-(p-tolylethynyl)benzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C