Butanoic acid, 3-oxo-, ethyl ester


Chemical Name: Butanoic acid, 3-oxo-, ethyl ester
CAS Number: 141-97-9
Product Number: AG001FRC(AGN-PC-009QAJ)
Synonyms:
MDL No:
Molecular Formula: C6H10O3
Molecular Weight: 130.1418

Identification/Properties


Properties
MP:
−43 °C(lit.)
BP:
236.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.419
Solubility:
116 g/L (20°C)
Computed Properties
Molecular Weight:
130.143g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
130.063g/mol
Monoisotopic Mass:
130.063g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
118
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H227-H302-H315-H319-H335
Precautionary Statements:
P210-P261-P280-P305+P351+P338-P403+P235
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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