3-Pentanone, 1-phenyl-


Chemical Name: 3-Pentanone, 1-phenyl-
CAS Number: 20795-51-1
Product Number: AG002JDP(AGN-PC-0JLXLN)
Synonyms:
MDL No:
Molecular Formula: C11H14O
Molecular Weight: 162.2283

Identification/Properties


Computed Properties
Molecular Weight:
162.232g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
162.104g/mol
Monoisotopic Mass:
162.104g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
134
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Phenylpentan-3-one is a versatile compound widely used in chemical synthesis for its unique properties and reactivity. This ketone serves as a valuable building block in organic chemistry, particularly in the synthesis of complex molecules and pharmaceuticals. Due to its aromatic phenyl group and extended carbon chain, 1-Phenylpentan-3-one can undergo various chemical transformations, such as oxidation, reduction, and functional group modifications, making it a key intermediate in the production of a wide range of organic compounds. Its structural features also enable it to participate in diverse reactions, including Grignard reactions, Friedel-Crafts acylation, and Claisen condensation, further expanding its utility in the synthesis of fine chemicals and high-value products. Additionally, 1-Phenylpentan-3-one is known for its pleasant odor, making it a potential candidate for use in fragrance and flavor applications.