Orthobenzoic acid, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol

Base Information

• Chemical Name: Orthobenzoic acid, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol
• CAS No.: 70637-01-3
• Molecular Formula: C15H20 O3
• Molecular Weight: 248.32
• DSSTox Substance ID: DTXSID90220917
• Wikidata: Q83098439
• Mol file: 70637-01-3.mol

Synonyms:70637-01-3;Orthobenzoic acid, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol;2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-phenyl-;2,6,7-Trioxabicyclo[2.2.2]octane, 4-butyl-1-phenyl-;4-BUTYL-1-PHENYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE;DTXSID90220917;LS-98448

Chemical Property of Orthobenzoic acid, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol

Chemical Property:

• Vapor Pressure: 0.000415mmHg at 25°C
• Boiling Point: 326.2°C at 760 mmHg
• Flash Point: 109.3°C
• PSA: 27.69000
• Density: 1.126g/cm³
• LogP: 3.05050
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 259

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC12COC(OC1)(OC2)C3=CC=CC=C3