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94-46-2,MFCD00026515
Catalog No.:AA003QZE

94-46-2 | Isoamyl benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
99%(GC)
in stock  
$24.00   $17.00
- +
100g
99%(GC)
in stock  
$47.00   $33.00
- +
500g
>98.0%(GC)
in stock  
$125.00   $88.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QZE
Chemical Name:
Isoamyl benzoate
CAS Number:
94-46-2
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD00026515
SMILES:
CC(CCOC(=O)c1ccccc1)C
NSC Number:
9284
FEMA Number:
2058
Properties
Properties
 
BP:
260°C at 760 mmHg  
Form:
Liquid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
169  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.8  

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1921,vol.43,p.950

[1]ZhurnalRusskagoFiziko-KhimicheskagoObshchestva,1912,vol.44,p.143    JournalfuerPraktischeChemie(Leipzig),1912,vol.<2>86,p.327,334

[1]JournaloftheAmericanChemicalSociety,1950,vol.72,p.2464

[1]JustusLiebigsAnnalenderChemie,1865,vol.133,p.207

[1]ChemischeBerichte,1938,vol.71,p.2488

Literature
Quotation Request
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SDS
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Tags:94-46-2 Molecular Formula|94-46-2 MDL|94-46-2 SMILES|94-46-2 Isoamyl benzoate
Catalog No.: AA003QZE
94-46-2,MFCD00026515
94-46-2 | Isoamyl benzoate
Pack Size： 25g
Purity： 99%(GC)
in stock
$24.00 $17.00
Pack Size： 100g
Purity： 99%(GC)
in stock
$47.00 $33.00
Pack Size： 500g
Purity： >98.0%(GC)
in stock
$125.00 $88.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003QZE
Chemical Name: Isoamyl benzoate
CAS Number: 94-46-2
Molecular Formula: C12H16O2
Molecular Weight: 192.2542
MDL Number: MFCD00026515
SMILES: CC(CCOC(=O)c1ccccc1)C
NSC Number: 9284
FEMA Number: 2058
Properties
BP: 260°C at 760 mmHg  
Form: Liquid  
Storage: Keep in dry area;Room Temperature;  
Complexity: 169  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.8  
Downstream Synthesis Route
93-58-3    123-51-3    94-46-2 

[1]JournaloftheAmericanChemicalSociety,1921,vol.43,p.950

67-56-1    94-46-2    124-41-4    532-32-1 

[1]ZhurnalRusskagoFiziko-KhimicheskagoObshchestva,1912,vol.44,p.143    JournalfuerPraktischeChemie(Leipzig),1912,vol.<2>86,p.327,334

123-51-3    98-08-8    94-46-2 

[1]JournaloftheAmericanChemicalSociety,1950,vol.72,p.2464

123-51-3    93-89-0    94-46-2 

[1]JustusLiebigsAnnalenderChemie,1865,vol.133,p.207

123-51-3    643-94-7    5435-44-9    94-46-2    120-80-9 

[1]ChemischeBerichte,1938,vol.71,p.2488

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