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Butyl Isobutyrate

CAS No.:
97-87-0
Catalog Number:
AG003OLY
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
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Product Description
Catalog Number:
AG003OLY
Chemical Name:
Butyl Isobutyrate
CAS Number:
97-87-0
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD00048773
IUPAC Name:
butyl 2-methylpropanoate
InChI:
InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
InChI Key:
JSLCOZYBKYHZNL-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(C)C
EC Number:
202-614-6
UNII:
PW9UJ5C0F3
FEMA Number:
2188
Properties
Complexity:
97.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Valuable nutrients and functional bioactives in different parts of olive (Olea europaea L.)-a review. International journal of molecular sciences 20120101
Differential attraction of malaria mosquitoes to volatile blends produced by human skin bacteria. PloS one 20100101
Properties