Propanoic acid, phenylmethyl ester


Chemical Name: Propanoic acid, phenylmethyl ester
CAS Number: 122-63-4
Product Number: AG0016J0(AGN-PC-0JKLT8)
Synonyms:
MDL No:
Molecular Formula: C10H12O2
Molecular Weight: 164.2011

Identification/Properties


Properties
MP:
221-223 °C
BP:
221.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.497(lit.)
Computed Properties
Molecular Weight:
164.204g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
164.084g/mol
Monoisotopic Mass:
164.084g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
137
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



Benzyl propionate, a chemical compound widely used in various sectors of chemical synthesis, serves as a versatile building block in the creation of numerous products. Its unique chemical properties make it a valuable ingredient in the production of fragrances, flavors, and pharmaceuticals. In chemical synthesis, Benzyl propionate is commonly used as a solvent or as a reagent in esterification reactions to form esters with desirable aromatic and fruity notes. Additionally, its ability to undergo various chemical transformations, such as hydrolysis or oxidation, allows for the synthesis of a wide range of derivatives for diverse applications. The versatility and effectiveness of Benzyl propionate in chemical synthesis make it an indispensable component in the formulation of high-quality products across industries.