Pentylbenzylphthalate

Base Information

• Chemical Name: Pentylbenzylphthalate
• CAS No.: 1240-18-2
• Molecular Formula: C20H22 O4
• Molecular Weight: 326.39
• DSSTox Substance ID: DTXSID70701173
• Wikidata: Q82632774
• Mol file: 1240-18-2.mol

Synonyms:PENTYLBENZYLPHTHALATE;3-benzyl-4-pentylphthalate;1240-18-2;DTXSID70701173;3-Benzyl-4-pentylbenzene-1,2-dicarboxylate

Chemical Property of Pentylbenzylphthalate

Chemical Property:

• Boiling Point: 421.8±20.0 °C(Predicted)
• PSA: 80.26000
• Density: 1.117±0.06 g/cm3(Predicted)
• LogP: 1.73710
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 324.13615911
• Heavy Atom Count: 24
• Complexity: 403

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2