2-Methylbutyl salicylate

Base Information

• Chemical Name: 2-Methylbutyl salicylate
• CAS No.: 51115-63-0
• Molecular Formula: C12H16O3
• Molecular Weight: 208.2536
• European Community (EC) Number: 256-972-3
• DSSTox Substance ID: DTXSID3052145
• Nikkaji Number: J261.642D
• Mol file: 51115-63-0.mol

Synonyms:2-Methylbutyl salicylate;51115-63-0;2-methylbutyl 2-hydroxybenzoate;Benzoic acid, 2-hydroxy-, 2-methylbutyl ester;EINECS 256-972-3;2-Methylbutyl salicylate #;SCHEMBL1552226;DTXSID3052145;2-Hydroxybenzoic acid 2-methylbutyl ester;W-111011

Chemical Property of 2-Methylbutyl salicylate

Chemical Property:

• Vapor Pressure: 0.00208mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 281.5 °C at 760 mmHg
• PKA: 8.15±0.30(Predicted)
• Flash Point: 109.9 °C
• PSA: 46.53000
• Density: 1.083 g/cm³
• LogP: 2.59510
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)COC(=O)C1=CC=CC=C1O

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