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5333-40-4,MFCD00021757
Catalog No.:AA003EPC

5333-40-4 | (2-Isopropyl-5-methylphenoxy)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$25.00   $18.00
- +
1g
>98.0%(GC)(T)
in stock  
$32.00   $23.00
- +
25g
97%
in stock  
$710.00   $497.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003EPC
Chemical Name:
(2-Isopropyl-5-methylphenoxy)acetic acid
CAS Number:
5333-40-4
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD00021757
SMILES:
OC(=O)COc1cc(C)ccc1C(C)C
NSC Number:
2403
Properties
Properties
 
BP:
340.3°C at 760 mmHg  
Form:
Solid  
MP:
149.0 to 153.0 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
213  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Ali,Wesam;Więcek,Małgorzata;Łażewska,Dorota;Kurczab,Rafał;Jastrzębska-Więsek,Magdalena;Satała,Grzegorz;Kucwaj-Brysz,Katarzyna;Lubelska,Annamaria;Głuch-Lutwin,Monika;Mordyl,Barbara;Siwek,Agata;Nasim,MuhammadJawad;Partyka,Anna;Sudoł,Sylwia;Latacz,Gniewomir;Wesołowska,Anna;Kieć-Kononowicz,Katarzyna;Handzlik,Jadwiga[EuropeanJournalofMedicinalChemistry,2019,vol.178,p.740-751]

[2]Soperetal.[JournaloftheAmericanChemicalSociety,1948,vol.70,p.2849,2851]

[1]Spica[GazzettaChimicaItaliana,1880,vol.10,p.345]

5333-40-4    1197-37-1   
5-ethoxy-2-(2-isopropyl-5-methyl-phenoxymethyl)-1(3)<i>H</i>-benzimidazole 

[1]Cohn[JournalfurpraktischeChemie(Leipzig1954),1901,vol.&lt;2&gt;63,p.188]

5333-40-4    1600-27-7   
2-carboxymethoxy-3-isopropyl-6-methyl-phenylmercury(1+)-betaine 

[1]CurrentPatentAssignee:Bayer&Co.-DE261229,1800,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.11,p.1105][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.11,p.1105]

[1]Kjeldgaard[Farmaceutisktidende,1956,vol.66,p.49,53]

Literature
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SDS
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