2,2-Dimethylpentyl benzoate

Base Information

• Chemical Name: 2,2-Dimethylpentyl benzoate
• CAS No.: 5458-31-1
• Molecular Formula: C14H20 O2
• Molecular Weight: 220.3074
• NSC Number: 23546
• DSSTox Substance ID: DTXSID30281946
• Wikidata: Q82016078

Synonyms:5458-31-1;2,2-dimethylpentyl benzoate;NSC23546;DTXSID30281946;NSC-23546

Chemical Property of 2,2-Dimethylpentyl benzoate

Chemical Property:

• Vapor Pressure: 0.00247mmHg at 25°C
• Boiling Point: 287.6°C at 760 mmHg
• Flash Point: 128.8°C
• Density: 0.973g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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