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79822-46-1,MFCD06656116
Catalog No.:AA005GWW

79822-46-1 | 3-Methoxy-4-t-butylbenzoic acid

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1g
98%(HPLC)
in stock  
$29.00   $20.00
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5g
95%
in stock  
$87.00   $61.00
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10g
95%
in stock  
$135.00   $95.00
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25g
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100g
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005GWW
Chemical Name:
3-Methoxy-4-t-butylbenzoic acid
CAS Number:
79822-46-1
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD06656116
SMILES:
COc1cc(ccc1C(C)(C)C)C(=O)O
Properties
Properties
 
BP:
334.7°C at 760 mmHg  
Form:
Solid  
MP:
151-152°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
230  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.1  

Upstream Synthesis Route

[1]JournalofOrganicChemistry,2008,vol.73,#8,p.3094-3102

[1]ZhurnalObshcheiKhimii,1946,vol.16,p.145,154

[2]Chem.Abstr.,1947,p.108

[3]ZhurnalObshcheiKhimii,1946,vol.16,p.145,154

[4]Chem.Abstr.,1947,p.108

[1]ZhurnalObshcheiKhimii,1946,vol.16,p.145,154

[2]Chem.Abstr.,1947,p.108

Downstream Synthesis Route

[1]ZhurnalObshcheiKhimii,1946,vol.16,p.145,154    Chem.Abstr.,1947,p.108

[2]ZhurnalObshcheiKhimii,1946,vol.16,p.145,154    Chem.Abstr.,1947,p.108

79822-46-1   
cis-3-methoxy-cis-4-tert-butylcyclohexanecarboxylicacid 

[1]JournalofOrganicChemistry,1981,vol.46,p.4880-4885

[1]ZhurnalObshcheiKhimii,1946,vol.16,p.145,154    Chem.Abstr.,1947,p.108

[1]JournalofOrganicChemistry,1981,vol.46,p.4880-4885

Literature
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SDS
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