2-Dodecenoic acid

Base Information

• Chemical Name: 2-Dodecenoic acid
• CAS No.: 1289-45-8
• Molecular Formula: C12H22O2
• Molecular Weight: 198.30188
• European Community (EC) Number: 224-569-1,603-308-9,836-106-6
• DSSTox Substance ID: DTXSID401343611
• Nikkaji Number: J98.064A,J98.065J
• Wikidata: Q27117056,Q27117632
• NCI Thesaurus Code: C68354
• Metabolomics Workbench ID: 1128
• ChEMBL ID: CHEMBL4281333
• Mol file: 1289-45-8.mol

Synonyms:2-dodecenoic acid;cis-2-dodecenoic acid

Chemical Property of 2-Dodecenoic acid

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Boiling Point: 311.7°C at 760 mmHg
• Flash Point: 216.6°C
• PSA: 0.00000
• Density: 0.922g/cm³
• LogP: 0.00000
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCC=CC(=O)O
• Isomeric SMILES: CCCCCCCCC/C=C/C(=O)O
• Uses: Lauroleic Acid is present in the fatty acid profile of sheep milk and lactating cows.