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60834-63-1,MFCD00010258
Catalog No.:AA003KYP

60834-63-1 | 4-Butylbenzyl alcohol

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250mg
98%
in stock  
$58.00   $40.00
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1g
98%
in stock  
$112.00   $78.00
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5g
98%
in stock  
$402.00   $282.00
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25g
98%
in stock  
$1,604.00   $1,123.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003KYP
Chemical Name:
4-Butylbenzyl alcohol
CAS Number:
60834-63-1
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
MDL Number:
MFCD00010258
SMILES:
CCCCc1ccc(cc1)CO
Properties
Properties
 
Form:
Liquid  
Refractive Index:
n20/D 1.515(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
104  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.9  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1989,vol.32,p.1757-1763

[1]Day,GaryM.;Howell,OwenT.;Metzler,MichaelR.;Woodgate,PaulD.[AustralianJournalofChemistry,1997,vol.50,#4,p.425-434]

[1]JournalofMedicinalChemistry,2008,vol.51,p.2954-2970

[1]Dilauro,Giuseppe;Azzollini,ClaudiaS.;Vitale,Paola;Salomone,Antonio;Perna,FilippoM.;Capriati,Vito[AngewandteChemie-InternationalEdition,2021,vol.60,#19,p.10632-10636][Angew.Chem.,2021,vol.133,#19,p.10726-10730,5]

[2]Heijnen,Dorus;Tosi,Filippo;Vila,Carlos;Stuart,MarcC.A.;Elsinga,PhilipH.;Szymanski,Wiktor;Feringa,BenL.[AngewandteChemie-InternationalEdition,2017,vol.56,#12,p.3354-3359][Angew.Chem.,2017,vol.129,#12,p.3402-3407,6]

[3]Giannerini,Massimo;Fananas-Mastral,Martin;Feringa,BenL.[NatureChemistry,2013,vol.5,#8,p.667-672]

[1]AdvancedSynthesisandCatalysis,2015,vol.357,p.1205-1210

[2]GreenChemistry,2014,vol.16,p.3439-3443

Literature

Title: Comparative molecular field analysis of substrates for an aryl sulfotransferase based on catalytic mechanism and protein homology modeling.

Journal: Journal of medicinal chemistry 20021205

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