3-Ethyl-2-methylnon-2-enoic acid

Base Information

• Chemical Name: 3-Ethyl-2-methylnon-2-enoic acid
• CAS No.: 71850-80-1
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.30188
• European Community (EC) Number: 276-098-6
• DSSTox Substance ID: DTXSID4072447
• Nikkaji Number: J318.785C
• Wikidata: Q76149930
• Mol file: 71850-80-1.mol

Synonyms:3-Ethyl-2-methylnon-2-enoic acid;71850-80-1;3-Ethyl-2-methyl-2-nonenoic acid;2-Nonenoic acid, 3-ethyl-2-methyl-;2-Methyl-3-ethyl-2-nonenoic acid;EINECS 276-098-6;SCHEMBL148743;DTXSID4072447

Chemical Property of 3-Ethyl-2-methylnon-2-enoic acid

Chemical Property:

• Vapor Pressure: 0.000112mmHg at 25°C
• Boiling Point: 312.9°C at 760 mmHg
• PKA: 5.50±0.44(Predicted)
• Flash Point: 217.7°C
• Density: 0.924g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(=C(C)C(=O)O)CC
• Isomeric SMILES: CCCCCC/C(=C(\C)/C(=O)O)/CC

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