Benzoic acid;ethane-1,2-diol

Base Information

• Chemical Name: Benzoic acid;ethane-1,2-diol
• CAS No.: 72245-46-6
• Deprecated CAS: 9011-86-3
• Molecular Formula: C17H16O4
• Molecular Weight: 284.30700
• European Community (EC) Number: 807-479-2
• DSSTox Substance ID: DTXSID00583762
• Mol file: 72245-46-6.mol

Synonyms:benzoic acid;ethane-1,2-diol;72245-46-6;85875-42-9;SCHEMBL226025;DTXSID00583762;CLWGSKZGXLUNRY-UHFFFAOYSA-N;Benzoic acid--ethane-1,2-diol (1/1)

Chemical Property of Benzoic acid;ethane-1,2-diol

Chemical Property:

• Refractive Index: n20/D 1.518(lit.)
• Boiling Point: 385.5 °C at 760 mmHg
• Flash Point: 206.7 °C
• PSA: 52.60000
• Density: 1.169 g/cm³
• LogP: 3.08890
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 184.07355886
• Heavy Atom Count: 13
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)O.C(CO)O