Benzoic acid, 4-methyl-, 3-(3-(benzoyloxy)propoxy)propyl ester

Base Information

• Chemical Name: Benzoic acid, 4-methyl-, 3-(3-(benzoyloxy)propoxy)propyl ester
• CAS No.: 72138-86-4
• Molecular Formula: C21H24O5
• Molecular Weight: 356.41
• DSSTox Substance ID: DTXSID1072509
• Nikkaji Number: J447.050H
• Wikidata: Q82000581
• Mol file: 72138-86-4.mol

Synonyms:72138-86-4;Benzoic acid, 4-methyl-, 3-(3-(benzoyloxy)propoxy)propyl ester;4-Methylbenzoic acid 3-[3-(benzoyloxy)propoxy]propyl ester;Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester;DTXSID1072509

Chemical Property of Benzoic acid, 4-methyl-, 3-(3-(benzoyloxy)propoxy)propyl ester

Chemical Property:

• Vapor Pressure: 1.63E-09mmHg at 25°C
• Boiling Point: 483.8°C at 760 mmHg
• Flash Point: 210.2°C
• PSA: 61.83000
• Density: 1.132g/cm³
• LogP: 3.80560
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 356.16237386
• Heavy Atom Count: 26
• Complexity: 409

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)OCCCOCCCOC(=O)C2=CC=CC=C2