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120-50-3,MFCD00048344
Catalog No.:AA000PY2

120-50-3 | Isobutyl benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$18.00   $13.00
- +
25g
98%
in stock  
$32.00   $23.00
- +
100g
98%
in stock  
$67.00   $47.00
- +
500g
>99.0%(GC)
in stock  
$205.00   $144.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000PY2
Chemical Name:
Isobutyl benzoate
CAS Number:
120-50-3
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00048344
SMILES:
CC(COC(=O)c1ccccc1)C
NSC Number:
6580
FEMA Number:
2185
Properties
Properties
 
BP:
242.0°C  
Form:
Liquid  
Refractive Index:
n20/D 1.495(lit.)  

Computed Properties
 
Complexity:
158  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.6  

Downstream Synthesis Route

[1]Tang,Zhi;Jiang,Qiutao;Peng,Lifen;Xu,Xinhua;Li,Jie;Qiu,Renhua;Au,Chak-Tong[GreenChemistry,2017,vol.19,#22,p.5396-5402]

[2]Reimer;Downes[JournaloftheAmericanChemicalSociety,1921,vol.43,p.950]

[1]Houben;Fischer[ChemischeBerichte,1931,vol.64,p.2636,2639]

[1]Magnani;McElvain[JournaloftheAmericanChemicalSociety,1938,vol.60,p.813,819]

[1]Magnani;McElvain[JournaloftheAmericanChemicalSociety,1938,vol.60,p.813,819]

[1]Orlow[BulletindelaSocieteChimiquedeFrance,1924,vol.<4>35,p.362]

Literature

Title: Surfactant properties of ionic liquids containing short alkyl chain imidazolium cations and ibuprofenate anions.

Journal: Physical chemistry chemical physics : PCCP 20110914

Quotation Request
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SDS
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Tags:120-50-3 Molecular Formula|120-50-3 MDL|120-50-3 SMILES|120-50-3 Isobutyl benzoate
Catalog No.: AA000PY2
120-50-3,MFCD00048344
120-50-3 | Isobutyl benzoate
Pack Size： 5g
Purity： 98%
in stock
$18.00 $13.00
Pack Size： 25g
Purity： 98%
in stock
$32.00 $23.00
Pack Size： 100g
Purity： 98%
in stock
$67.00 $47.00
Pack Size： 500g
Purity： >99.0%(GC)
in stock
$205.00 $144.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000PY2
Chemical Name: Isobutyl benzoate
CAS Number: 120-50-3
Molecular Formula: C11H14O2
Molecular Weight: 178.2277
MDL Number: MFCD00048344
SMILES: CC(COC(=O)c1ccccc1)C
NSC Number: 6580
FEMA Number: 2185
Properties
BP: 242.0°C  
Form: Liquid  
Refractive Index: n20/D 1.495(lit.)  
Complexity: 158  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.6  
Downstream Synthesis Route
93-58-3    78-83-1    120-50-3 

[1]Tang,Zhi;Jiang,Qiutao;Peng,Lifen;Xu,Xinhua;Li,Jie;Qiu,Renhua;Au,Chak-Tong[GreenChemistry,2017,vol.19,#22,p.5396-5402]

[2]Reimer;Downes[JournaloftheAmericanChemicalSociety,1921,vol.43,p.950]

78-83-1    2902-69-4    120-50-3 

[1]Houben;Fischer[ChemischeBerichte,1931,vol.64,p.2636,2639]

120-50-3    13259-29-5    79-31-2 

[1]Magnani;McElvain[JournaloftheAmericanChemicalSociety,1938,vol.60,p.813,819]

120-50-3    13259-29-5    97-85-8    78-83-1    65-85-0    611-70-1 

[1]Magnani;McElvain[JournaloftheAmericanChemicalSociety,1938,vol.60,p.813,819]

555-75-9    100-52-7    78-84-2    103-28-6    120-50-3    120-51-4    97-62-1 

[1]Orlow[BulletindelaSocieteChimiquedeFrance,1924,vol.<4>35,p.362]

Literature fold

Title: Surfactant properties of ionic liquids containing short alkyl chain imidazolium cations and ibuprofenate anions.

Journal: Physical chemistry chemical physics : PCCP20110914

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