trans-2-Hexenyl salicylate

Base Information

• Chemical Name: trans-2-Hexenyl salicylate
• CAS No.: 68133-77-7
• Molecular Formula: C13H16O3
• Molecular Weight: 220.2643
• European Community (EC) Number: 268-704-2
• UNII: CZ578DSC7J
• DSSTox Substance ID: DTXSID80887179
• Nikkaji Number: J334.054F
• Wikidata: Q63392653
• Mol file: 68133-77-7.mol

Synonyms:2-ethylhexyl salicylate;ethyl hexyl salicylate;octisalate;octylsalicylate;salicylic acid 2-ethylhexyl ester;trans-2-hexenyl salicylate

Chemical Property of trans-2-Hexenyl salicylate

Chemical Property:

• Vapor Pressure: 0.000152mmHg at 25°C
• Boiling Point: 322°Cat760mmHg
• Flash Point: 130.2°C
• PSA: 46.53000
• Density: 1.09g/cm³
• LogP: 2.90530
• XLogP3: 3.5
• 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

TRANS-2-HEXENYL SALICYLATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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