3-Hexadecenoic acid

Base Information

• Chemical Name: 3-Hexadecenoic acid
• CAS No.: 2457-70-7
• Molecular Formula: C16H30 O2
• Molecular Weight: 254.41
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID701312588
• Nikkaji Number: J527.908I,J630.356K
• Wikidata: Q76296960
• Metabolomics Workbench ID: 686
• Mol file: 2457-70-7.mol

Synonyms:delta(3)-hexadecenoic acid;delta(3)-hexadecenoic acid, (E)-isomer;delta(3)-hexadecenoic acid, (Z)-isomer;trans-3-hexadecenoic acid

Chemical Property of 3-Hexadecenoic acid

Chemical Property:

• Vapor Pressure: 1.31E-06mmHg at 25°C
• Boiling Point: 373.6°Cat760mmHg
• Flash Point: 270.5°C
• PSA: 37.30000
• Density: 0.905g/cm³
• LogP: 5.32830
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 254.224580195
• Heavy Atom Count: 18
• Complexity: 209

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC=CCC(=O)O
• Isomeric SMILES: CCCCCCCCCCCC/C=C/CC(=O)O