3-Hexenyl salicylate

Base Information

• Chemical Name: 3-Hexenyl salicylate
• CAS No.: 68141-22-0
• Molecular Formula: C13H16O3
• Molecular Weight: 220.2643
• European Community (EC) Number: 265-745-8,268-844-4
• UNII: C78Y9OR6YH
• DSSTox Substance ID: DTXSID20887219
• Nikkaji Number: J76.333K,J334.106B
• Wikidata: Q27160480
• Mol file: 68141-22-0.mol

Synonyms:3-hexenyl salicylate;3-hexenyl salicylate, (E)-isomer;cis-3-hexenyl salicylate

Chemical Property of 3-Hexenyl salicylate

Chemical Property:

• Boiling Point: 314.8°Cat760mmHg
• Flash Point: 126.2°C
• PSA: 0.00000
• Density: 1.09g/cm³
• LogP: 0.00000
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC=CCCOC(=O)C1=CC=CC=C1O
• Isomeric SMILES: CC/C=C/CCOC(=O)C1=CC=CC=C1O