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

Base Information

• Chemical Name: Orthobenzoic acid, cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
• CAS No.: 70637-02-4
• Molecular Formula: C13H16 O3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50220918
• Nikkaji Number: J1.265.166J
• Wikidata: Q83098440
• Mol file: 70637-02-4.mol

Synonyms:70637-02-4;Orthobenzoic acid, cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol;2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl-1-phenyl-;4-ETHYL-1-PHENYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE;2,6,7-Trioxabicyclo[2.2.2]octane, 4-ethyl-1-phenyl-;SCHEMBL1128030;DTXSID50220918;LS-98452;2-Phenyl-5-ethyl-2,5-(epoxymethano)-1,3-dioxane

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

Chemical Property:

• Vapor Pressure: 0.00295mmHg at 25°C
• Boiling Point: 293.9°C at 760 mmHg
• Flash Point: 97.7°C
• PSA: 27.69000
• Density: 1.175g/cm³
• LogP: 2.27030
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12COC(OC1)(OC2)C3=CC=CC=C3

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