Benzyl 2,2-dimethylbutanoate

Base Information

• Chemical Name: Benzyl 2,2-dimethylbutanoate
• CAS No.: 2094-70-4
• Molecular Formula: C13H18 O2
• Molecular Weight: 206.2808
• NSC Number: 179370
• DSSTox Substance ID: DTXSID20306697
• Wikidata: Q82053904

Synonyms:2094-70-4;benzyl 2,2-dimethylbutanoate;NSC179370;SCHEMBL116845;DTXSID20306697;NSC-179370

Chemical Property of Benzyl 2,2-dimethylbutanoate

Chemical Property:

• Vapor Pressure: 0.00843mmHg at 25°C
• Boiling Point: 266.9°C at 760 mmHg
• Flash Point: 97.8°C
• Density: 0.99g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C(=O)OCC1=CC=CC=C1

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