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Home Carboxes 120-50-3
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  
$47.00   $33.00
- +
500g
98%
in stock  
$187.00   $131.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
4  
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

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SDS
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