Propan-2-yl prop-2-ynoate

Base Information

• Chemical Name: Propan-2-yl prop-2-ynoate
• CAS No.: 96088-62-9
• Molecular Formula: C6H8O2
• Molecular Weight: 112.128
• European Community (EC) Number: 852-471-4
• DSSTox Substance ID: DTXSID00575985
• Nikkaji Number: J1.476.235C
• Wikidata: Q82465487
• Mol file: 96088-62-9.mol

Synonyms:96088-62-9;propan-2-yl prop-2-ynoate;isopropyl propiolate;2-Propynoic acid, 1-methylethyl ester;Propiolic acid, isopropyl ester;Isopropyl 2-propynoate;Isopropyl acetylenecarboxylate;Isopropyl propiolate;Isopropyl propynoate;isopropylpropiolate;SCHEMBL1089096;AMY7054;DTXSID00575985;OXXHZTDBNXEEFU-UHFFFAOYSA-N;AKOS018708404;EN300-178990;A935270

Chemical Property of Propan-2-yl prop-2-ynoate

Chemical Property:

• Boiling Point: 143.7±9.0 °C(Predicted)
• PSA: 26.30000
• Density: 0.973±0.06 g/cm3(Predicted)
• LogP: 0.57120
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 127

Purity/Quality:

98%,99%, ^*data from raw suppliers

propan-2-ylprop-2-ynoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C#C