Octadecanoic acid, butyl ester


Chemical Name: Octadecanoic acid, butyl ester
CAS Number: 123-95-5
Product Number: AG000JXL(AGN-PC-0JKLUA)
Synonyms:
MDL No:
Molecular Formula: C22H44O2
Molecular Weight: 340.5836

Identification/Properties


Properties
MP:
17-22 °C
BP:
343°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
340.592g/mol
XLogP3:
9.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
20
Exact Mass:
340.334g/mol
Monoisotopic Mass:
340.334g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
250
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

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NMR Spectrum


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Chemical Structure



Butyl stearate is a versatile chemical compound commonly used in chemical synthesis for various applications. In the realm of organic chemistry, it serves as a valuable reagent in esterification reactions, where it plays a crucial role in forming esters through the reaction between an alcohol and a carboxylic acid. This process involves the replacement of a hydroxyl group in the alcohol with the carboxyl group of the acid, resulting in the formation of an ester and water as a byproduct. Butyl stearate's ability to participate in esterification reactions makes it an essential component in the production of a wide range of organic compounds, including fragrances, lubricants, plasticizers, and various industrial products. Its presence in chemical synthesis facilitates the creation of unique and functional molecules with diverse properties, highlighting its significance in the field of organic chemistry.