Benzoic acid, 3-chloro-4-hydroxy-, 4-pentylphenyl ester

Base Information

• Chemical Name: Benzoic acid, 3-chloro-4-hydroxy-, 4-pentylphenyl ester
• CAS No.: 50687-70-2
• Molecular Formula: C₁₈H₁₉ClO₃
• Molecular Weight: 318.8
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID0068575
• Nikkaji Number: J422.539B
• Wikidata: Q81995333
• Mol file: 50687-70-2.mol

Synonyms:4-Pentylphenyl 3-chloro-4-hydroxybenzoate;50687-70-2;Benzoic acid, 3-chloro-4-hydroxy-, 4-pentylphenyl ester;C18H19ClO3;DTXSID0068575;SCHEMBL10524156;MBWAFEFPEJYWGU-UHFFFAOYSA-N;3-Chloro-4-hydroxybenzoic acid 4-pentylphenyl ester;3-Chloro-4-hydroxy-benzoic acid 4-pentyl-phenyl ester

Chemical Property of Benzoic acid, 3-chloro-4-hydroxy-, 4-pentylphenyl ester

Chemical Property:

• Vapor Pressure: 3.48E-09mmHg at 25°C
• Boiling Point: 462.8°Cat760mmHg
• Flash Point: 233.7°C
• PSA: 46.53000
• Density: 1.2g/cm³
• LogP: 4.99750
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 318.1022722
• Heavy Atom Count: 22
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)O)Cl

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