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71616-83-6,MFCD22200103
Catalog No.:AA00IC3P

71616-83-6 | Methyl 4-butyrylbenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$408.00   $285.00
- +
1g
95%
in stock  
$943.00   $660.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IC3P
Chemical Name:
Methyl 4-butyrylbenzoate
CAS Number:
71616-83-6
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD22200103
SMILES:
CCCC(=O)c1ccc(cc1)C(=O)OC
Properties
Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Downstream Synthesis Route

[1]Patent:WO2005/123668,2005,A1.Locationinpatent:Page/Pagecolumn42

[1]Patent:WO2005/123668,2005,A1.Locationinpatent:Page/Pagecolumn42

[1]Patent:EP1698624,2006,A1.Locationinpatent:Page/Pagecolumn48-49

[2]Patent:EP1726580,2006,A1.Locationinpatent:Page/Pagecolumn106

71616-83-6    78502-88-2   
C22H23NO2S 

[1]Patent:EP1698624,2006,A1.Locationinpatent:Page/Pagecolumn49

71616-83-6    78502-88-2   
C22H21NO2S 

[1]Patent:EP1726580,2006,A1.Locationinpatent:Page/Pagecolumn106-107

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:71616-83-6 Molecular Formula|71616-83-6 MDL|71616-83-6 SMILES|71616-83-6 Methyl 4-butyrylbenzoate
Catalog No.: AA00IC3P
71616-83-6,MFCD22200103
71616-83-6 | Methyl 4-butyrylbenzoate
Pack Size： 250mg
Purity： 95%
in stock
$408.00 $285.00
Pack Size： 1g
Purity： 95%
in stock
$943.00 $660.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IC3P
Chemical Name: Methyl 4-butyrylbenzoate
CAS Number: 71616-83-6
Molecular Formula: C12H14O3
Molecular Weight: 206.2378
MDL Number: MFCD22200103
SMILES: CCCC(=O)c1ccc(cc1)C(=O)OC
Properties
Complexity: 227  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Downstream Synthesis Route
2234-82-4    203442-83-5    71616-83-6 

[1]Patent:WO2005/123668,2005,A1.Locationinpatent:Page/Pagecolumn42

71616-83-6    872254-79-0 

[1]Patent:WO2005/123668,2005,A1.Locationinpatent:Page/Pagecolumn42

67-56-1    858114-91-7    201230-82-2    71616-83-6 

[1]Patent:EP1698624,2006,A1.Locationinpatent:Page/Pagecolumn48-49

[2]Patent:EP1726580,2006,A1.Locationinpatent:Page/Pagecolumn106

71616-83-6    78502-88-2   
C22H23NO2S 

[1]Patent:EP1698624,2006,A1.Locationinpatent:Page/Pagecolumn49

71616-83-6    78502-88-2   
C22H21NO2S 

[1]Patent:EP1726580,2006,A1.Locationinpatent:Page/Pagecolumn106-107

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