Propanedioic acid, butyl-, diethyl ester


Chemical Name: Propanedioic acid, butyl-, diethyl ester
CAS Number: 133-08-4
Product Number: AG0011HK(AGN-PC-07A1X3)
Synonyms:
MDL No:
Molecular Formula: C11H20O4
Molecular Weight: 216.2741

Identification/Properties


Properties
BP:
237.5°C
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
216.277g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
9
Exact Mass:
216.136g/mol
Monoisotopic Mass:
216.136g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
183
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:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Diethyl N-Butylmalonate is a versatile compound commonly used in chemical synthesis as a key building block for the preparation of various organic molecules. It serves as an important ester in organic chemistry, offering a range of applications in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Due to its unique structure, Diethyl N-Butylmalonate participates in a variety of organic reactions, such as esterifications, condensations, and decarboxylations, leading to the formation of complex and valuable compounds. Its flexibility and reactivity make it a valuable tool for chemists seeking to access diverse molecular structures for research and development purposes.