2-Ethylhexyl crotonate

Base Information

• Chemical Name: 2-Ethylhexyl crotonate
• CAS No.: 7299-92-5
• Molecular Formula: C12H22O2
• Molecular Weight: 198.30188
• European Community (EC) Number: 256-194-4
• DSSTox Substance ID: DTXSID301299281
• Nikkaji Number: J319.946K
• Mol file: 7299-92-5.mol

Synonyms:2-Ethylhexyl crotonate;45124-23-0;EINECS 256-194-4;SCHEMBL182834;SCHEMBL182835;Crotonic acid, 2-ethylhexyl ester;DTXSID301299281;2-Butenoic acid 2-ethylhexyl ester;7299-92-5

Chemical Property of 2-Ethylhexyl crotonate

Chemical Property:

• Boiling Point: 249.8±9.0 °C(Predicted)
• PSA: 26.30000
• Density: 0.884±0.06 g/cm3(Predicted)
• LogP: 3.32210
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)C=CC
• Isomeric SMILES: CCCCC(CC)COC(=O)/C=C/C

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