2-Butyloctanedioic acid

Base Information

• Chemical Name: 2-Butyloctanedioic acid
• CAS No.: 149675-91-2
• Deprecated CAS: 149675-91-2
• Molecular Formula: C12H22O4
• Molecular Weight: 230.30
• European Community (EC) Number: 431-210-4
• DSSTox Substance ID: DTXSID80424164,DTXSID30965158
• Nikkaji Number: J366.511I

Synonyms:2-butyloctanedioic acid;50905-10-7;Octanedioic acid, 2-butyl-;2-butyloctanedioicacid;butyl 1,6-dicarboxy-hexane;SCHEMBL154649;(R,S)-2-Butyloctanedioic acid;DTXSID30965158;DTXSID80424164;OWCLRJQYKBAMOL-UHFFFAOYSA-N;MFCD22373402;DS-19204;FT-0691590;E78536;EC 431-210-4;149675-91-2

Chemical Property of 2-Butyloctanedioic acid

Chemical Property:

• Vapor Pressure: 2.06E-07mmHg at 25°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 230.15180918
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCC(CCCCCC(=O)O)C(=O)O

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