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Home Other Building Blocks Propanoic acid, 2-methyl-, 3-methylbutyl ester

Propanoic acid, 2-methyl-, 3-methylbutyl ester

CAS No.:
2050-01-3
Catalog Number:
AG0029S5
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(GC)
1 week
United States
$67
- +
Product Description
Catalog Number:
AG0029S5
Chemical Name:
Propanoic acid, 2-methyl-, 3-methylbutyl ester
CAS Number:
2050-01-3
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD00053719
IUPAC Name:
3-methylbutyl 2-methylpropanoate
InChI:
InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChI Key:
VFTGLSWXJMRZNB-UHFFFAOYSA-N
SMILES:
CC(CCOC(=O)C(C)C)C
EC Number:
218-078-1
UNII:
RF0ZT103EG
FEMA Number:
3507
Properties
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Volatile compounds secreted by Brindley's glands of adult Triatoma infestans: identification and biological activity of previously unidentified compounds. Journal of vector ecology : journal of the Society for Vector Ecology 20070601
Comparison of estimation capabilities of response surface methodology (RSM) with artificial neural network (ANN) in lipase-catalyzed synthesis of palm-based wax ester. BMC biotechnology 20070101
Properties