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Home Other Building Blocks Isobutyl benzoate

Isobutyl benzoate

CAS No.:
120-50-3
Catalog Number:
AG000Q0U
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$25
- +
100g
95%
In Stock USA
United States
$62
- +
Product Description
Catalog Number:
AG000Q0U
Chemical Name:
Isobutyl benzoate
CAS Number:
120-50-3
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00048344
IUPAC Name:
2-methylpropyl benzoate
InChI:
InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key:
KYZHGEFMXZOSJN-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1ccccc1)C
EC Number:
204-401-3
UNII:
KQ6XZ9WJII
NSC Number:
6580
FEMA Number:
2185
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Surfactant properties of ionic liquids containing short alkyl chain imidazolium cations and ibuprofenate anions. Physical chemistry chemical physics : PCCP 20110914
Properties