Benzoic acid, 3-methoxy-4-propoxythio-, O-ethyl ester

Base Information

• Chemical Name: Benzoic acid, 3-methoxy-4-propoxythio-, O-ethyl ester
• CAS No.: 117666-91-8
• Molecular Formula: C13H18 O3 S
• Molecular Weight: 254.3452
• DSSTox Substance ID: DTXSID80151862
• Wikidata: Q83018409
• Mol file: 117666-91-8.mol

Synonyms:3-Methoxy-4-propoxythiobenzoic acid O-ethyl ester;Benzoic acid, 3-methoxy-4-propoxythio-, O-ethyl ester;Benzenecarbothioic acid, 3-methoxy-4-propoxy-, O-ethyl ester;117666-91-8;DTXSID80151862;LS-37851

Chemical Property of Benzoic acid, 3-methoxy-4-propoxythio-, O-ethyl ester

Chemical Property:

• Vapor Pressure: 4.01E-06mmHg at 25°C
• Boiling Point: 384.7°C at 760 mmHg
• Flash Point: 272.2°C
• Density: 1.094g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 254.09766561
• Heavy Atom Count: 17
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=C(C(=C(C=C1)C(=O)S)CC)OC