Pentanoic acid, 4-methyl-3-oxo-, ethyl ester


Chemical Name: Pentanoic acid, 4-methyl-3-oxo-, ethyl ester
CAS Number: 7152-15-0
Product Number: AG0034WB(AGN-PC-07A1YO)
Synonyms:
MDL No:
Molecular Formula: C8H14O3
Molecular Weight: 158.1950

Identification/Properties


Properties
MP:
-9 °C(lit.)
BP:
173°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.425(lit.)
Solubility:
Soluble in chloroform and methanol.
Computed Properties
Molecular Weight:
158.197g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
158.094g/mol
Monoisotopic Mass:
158.094g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
149
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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:
Danger
UN#:
3272
Hazard Statements:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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