5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid

Base Information

• Chemical Name: 5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid
• CAS No.: 53980-88-4
• Deprecated CAS: 138398-37-5
• Molecular Formula: C21H36 O4
• Molecular Weight: 352.50814
• European Community (EC) Number: 258-897-1
• UNII: FG93I77V75
• DSSTox Substance ID: DTXSID90880414
• Nikkaji Number: J279.552C
• Wikidata: Q27277967
• Mol file: 53980-88-4.mol

Synonyms:5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid;53980-88-4;2-cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-;Cyclocarboxypropyloleic acid;5(Or 6)-carboxy-4-hexylcyclohex-2-ene-1-octanoic acid;42763-47-3;FG93I77V75;1-Carboxy-2-hexyl-5-(7-carboxyheptyl)cyclohex-3-ene;8-(5-Carboxy-4-hexyl-2-cyclohexen-1-yl)octanoic acid;(+/-)-5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid;2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-;C21-Dicarboxylic acid;UNII-FG93I77V75;EINECS 258-897-1;SWI7TZX7JS;UNII-SWI7TZX7JS;5(6)-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid;SCHEMBL3367340;DTXSID90880414;FT-0777811;5-Carboxy-4-hexylcyclohex-2-ene-1-octanoic acid;W-111080;Q27277967;5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid

Chemical Property of 5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid

Chemical Property:

• Vapor Pressure: 5.37E-12mmHg at 25°C
• Boiling Point: 515.1°Cat760mmHg
• Flash Point: 279.4°C
• PSA: 74.60000
• Density: 1.016g/cm³
• LogP: 5.66520
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 352.26135963
• Heavy Atom Count: 25
• Complexity: 416

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O