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Home Other Building Blocks 17696-61-6
17696-61-6,MFCD00059626
Catalog No.:AA0024XE

17696-61-6 | 4-Hydroxybenzoic acid sec-butyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$37.00   $26.00
- +
5g
95%
in stock  
$79.00   $55.00
- +
25g
>98.0%(T)(HPLC)
in stock  
$123.00   $86.00
- +
100g
>98.0%(T)(HPLC)
in stock  
$386.00   $270.00
- +
500g
>98.0%(T)(HPLC)
in stock  
$1,082.00   $757.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0024XE
Chemical Name:
4-Hydroxybenzoic acid sec-butyl ester
CAS Number:
17696-61-6
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00059626
SMILES:
CCC(OC(=O)c1ccc(cc1)O)C
Properties
Properties
 
BP:
302.3°C at 760 mmHg  
Form:
Solid  
MP:
60 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
183  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Cavill;Vincent[JournaloftheSocietyofChemicalIndustry,1947,vol.66,p.175]

[2]Stout,DavidM.;Black,LawrenceA.;Barcelon-Yang,Cynthia;Matier,W.L.;Brown,BarryS.;etal.[JournalofMedicinalChemistry,1989,vol.32,#8,p.1910-1913]

123-75-1    50-00-0    17696-61-6   
4-Hydroxy-3,5-bis-pyrrolidin-1-ylmethyl-benzoicacidsec-butylester;hydrochloride 

[1]Stout,DavidM.;Black,LawrenceA.;Barcelon-Yang,Cynthia;Matier,W.L.;Brown,BarryS.;etal.[JournalofMedicinalChemistry,1989,vol.32,#8,p.1910-1913]

17696-61-6   
sec-butyl4-(4-(5-fluoro-2-methoxyphenyl)butoxy)benzoate 

[1]Friis,StigD.;Pirnot,MichaelT.;Dupuis,LaurenN.;Buchwald,StephenL.[AngewandteChemie-InternationalEdition,2017,vol.56,#25,p.7242-7246][Angew.Chem.,2017,vol.129,#25,p.7348-7352,5]

Literature

Title: Simultaneous determination of preservatives in beverages, vinegar, aqueous sauces, and quasi-drug drinks by stir-bar sorptive extraction (SBSE) and thermal desorption GC-MS.

Journal: Analytical and bioanalytical chemistry 20020501

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SDS
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Tags:17696-61-6 Molecular Formula|17696-61-6 MDL|17696-61-6 SMILES|17696-61-6 4-Hydroxybenzoic acid sec-butyl ester