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3-Phenylbutyric acid

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Identification
Molecular formula
C10H12O2
CAS number
102-82-9
IUPAC name
3-phenylbutanoic acid
State
State

At room temperature, 3-Phenylbutyric acid is found as a solid.

Melting point (Celsius)
49.00
Melting point (Kelvin)
322.00
Boiling point (Celsius)
314.00
Boiling point (Kelvin)
587.00
General information
Molecular weight
164.21g/mol
Molar mass
164.2060g/mol
Density
1.0455g/cm3
Appearence

3-Phenylbutyric acid is a white to off-white crystalline solid. It is typically available in crystalline form and tends to have a faint aromatic odor due to its phenyl component.

Comment on solubility

Solubility of 3-Phenylbutanoic Acid

3-Phenylbutanoic acid, with its unique structure, showcases interesting solubility characteristics. The solubility of this compound can be influenced by various factors including its molecular structure, polarity, and the nature of the solvent. Here are key points to consider:

  • Polarity: 3-Phenylbutanoic acid contains both a hydrophobic phenyl group and a hydrophilic carboxylic acid group. This dual nature can enhance its ability to dissolve in a range of solvents.
  • Water Solubility: It has limited solubility in water due to the larger non-polar component, which reduces the overall interaction with water molecules.
  • Organic Solvents: This compound is generally more soluble in organic solvents such as ethanol, ether, and benzene, owing to its hydrophobic character.
  • Temperature Effects: As with many organic compounds, solubility may increase with temperature, making warmer organic solvents more effective.

In summary, while 3-phenylbutanoic acid is not highly soluble in water, its solubility can improve significantly in various organic solvents, highlighting its versatility in different chemical environments.

Interesting facts

Interesting Facts About 3-Phenylbutanoic Acid

3-Phenylbutanoic acid, also known by its systematic name, is a fascinating compound that blends the characteristics of both aromatic and aliphatic structures, creating interesting chemical properties. Here are some intriguing aspects of this compound:

  • Aromatic Nature: The presence of the phenyl group in its structure contributes to the compound's stability and influences its reactivity, making it an interesting target in organic synthesis.
  • Biological Relevance: Compounds similar to 3-phenylbutanoic acid have been studied for their potential biological activities, including anti-inflammatory and analgesic effects.
  • Synthetic Applications: The synthesis of 3-phenylbutanoic acid can be accomplished through various pathways, including the Friedel-Crafts acylation of butyric acid, making it a valuable precursor for numerous organic compounds.
  • Pharmaceutical Potential: Research suggests that modifications to the structure of 3-phenylbutanoic acid could lead to the development of new drugs, as derivatives might exhibit desired pharmacological properties.
  • Functional Group Behavior: The carboxylic acid functional group in this compound makes it a good candidate for further reactions, such as esterification or amidation, expanding its utility in organic chemistry.

In summary, 3-phenylbutanoic acid is not just a simple carboxylic acid, but rather a compound with a range of properties and applications that make it a topic of interest for both chemists and pharmaceutical scientists alike. As we delve deeper into its chemistry, who knows what future discoveries may arise?

Synonyms
3-Phenylbutanoic acid
3-PHENYLBUTYRIC ACID
4593-90-2
beta-Phenylbutyric acid
3-Phenylbutyrate
b-Phenylbutyrate
3-phenylbutanoate
beta-Phenylbutyrate
beta-Methylhydrocinnamic acid
b-Phenyl-n-butyrate
b-Phenylbutyric acid
beta-Methylbenzenepropanoic acid
3-Phenylbutiric Acid
b-Methylhydrocinnamate
beta-Phenyl-n-butyrate
b-Methylbenzenepropanoate
beta-Methylhydrocinnamate
b-Phenyl-n-butyric acid
(RS)-3-Phenylbutanoate
b-Methylhydrocinnamic acid
EINECS 224-987-4
beta-Methylbenzenepropanoate
NSC 177801
b-Methylbenzenepropanoic acid
(RS)-3-Phenylbutanoic acid
AI3-11112
DTXSID10863421
3-Phenylbutirate
Benzenepropanoic acid, .beta.-methyl-, (S)-
DTXCID00812044
Benzenepropanoic acid, beta-methyl-, (S)-
224-987-4
inchi=1/c10h12o2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8h,7h2,1h3,(h,11,12
zzewmyilwxcrhz-qmmmgpobsa-n
zzewmyilwxcrhz-uhfffaoysa-n
MFCD00002725
.beta.-Phenyl-n-butyric acid
Benzenepropanoic acid, .beta.-methyl-
772-17-8
3-Phenylbutanoic acid #
MFCD00077841
MFCD00077842
Benzenepropanoic acid, beta-methyl-
3-Phenylbutanoicacid
3-phenyl-butyric acid
Enamine_005505
butanoic acid, 3-phenyl-
beta-Phenyl-n-butyric acid
?-PHENYLBUTYRIC ACID
NCIOpen2_000158
3-Phenylbutyric acid, 98%
SCHEMBL237091
CHEMBL2205242
CHEBI:166657
HMS1409K05
EAA59390
NSC67346
NSC-67346
NSC177801
AKOS000120792
AKOS016051249
CS-W017905
HY-W017189
NSC-177801
SB47144
AS-57521
PD164991
SY109441
SY226436
SY231348
DB-051341
DB-241241
NS00048823
EN300-17257
D77816
Z56899204
(+/-)-3-Phenylbutyric acid, purum, >=97.0% (GC)
F0001-1246