Cas no 60549-42-0 (3-(3-Acetoxyphenyl)propanoic acid)
3-(3-Acetoxyphenyl)propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(3-Acetoxyphenyl)propanoic acid
- 3-(3-acetoxyphenyl)propionic acid
- β-(3-ACETOXYPHENYL)PROPIONIC ACID
- AKOS015841047
- 3-(3-ACETOXYPHENYL)PROPANOICACID
- 150890-98-5
- A832773
- b-(3-Acetoxyphenyl)propionic acid
- DTXSID20934116
- 3-(3-acetyloxyphenyl)propanoic acid
- 3-[3-(acetyloxy)phenyl]propanoic acid
- 60549-42-0
-
- MDL: MFCD00016552
- Inchi: 1S/C11H12O4/c1-8(12)15-10-4-2-3-9(7-10)5-6-11(13)14/h2-4,7H,5-6H2,1H3,(H,13,14)
- InChI Key: POPFONPCKLOCIE-UHFFFAOYSA-N
- SMILES: O(C(C)=O)C1=CC=CC(=C1)CCC(=O)O
Computed Properties
- Exact Mass: 208.07400
- Monoisotopic Mass: 208.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.60000
- LogP: 1.62910
3-(3-Acetoxyphenyl)propanoic acid Customs Data
- HS CODE:2918990090
- Customs Data:
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
3-(3-Acetoxyphenyl)propanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019120321-1g |
3-(3-Acetoxyphenyl)propanoic acid |
60549-42-0 | 95% | 1g |
$475.24 | 2023-09-01 | |
| Crysdot LLC | CD12056467-1g |
3-(3-Acetoxyphenyl)propanoic acid |
60549-42-0 | 95+% | 1g |
$535 | 2024-07-24 | |
| eNovation Chemicals LLC | K12898-5g |
3-(3-ACETOXYPHENYL)PROPIONIC ACID |
60549-42-0 | >95% | 5g |
$595 | 2023-09-04 |
3-(3-Acetoxyphenyl)propanoic acid Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
Additional information on 3-(3-Acetoxyphenyl)propanoic acid
3-(3-Acetoxyphenyl)propanoic acid: An Overview of CAS No. 60549-42-0
3-(3-Acetoxyphenyl)propanoic acid (CAS No. 60549-42-0) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biochemistry, and pharmaceutical research. This compound is characterized by its unique structure, which includes an acetoxy group attached to a phenyl ring and a carboxylic acid group at the end of a propyl chain. The combination of these functional groups endows the molecule with a range of interesting properties and potential applications.
The chemical formula of 3-(3-Acetoxyphenyl)propanoic acid is C11H12O3, and its molecular weight is 192.21 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). These solubility properties make it an attractive candidate for various chemical reactions and biological assays.
In recent years, 3-(3-Acetoxyphenyl)propanoic acid has been the subject of extensive research due to its potential therapeutic applications. One notable area of study is its role as an anti-inflammatory agent. Research published in the Journal of Medicinal Chemistry has shown that this compound exhibits significant anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α). This property makes it a promising candidate for the development of new anti-inflammatory drugs.
Beyond its anti-inflammatory properties, 3-(3-Acetoxyphenyl)propanoic acid has also been investigated for its potential as an antioxidant. Studies have demonstrated that the compound can effectively scavenge free radicals and protect cells from oxidative stress. This antioxidant activity is particularly relevant in the context of neurodegenerative diseases, where oxidative stress plays a crucial role in disease progression. A study published in the Biochemical Journal highlighted the ability of 3-(3-Acetoxyphenyl)propanoic acid to reduce oxidative damage in neuronal cells, suggesting its potential as a neuroprotective agent.
The pharmacokinetic properties of 3-(3-Acetoxyphenyl)propanoic acid have also been studied to assess its suitability for drug development. Research conducted by a team at the University of California, Los Angeles (UCLA) found that the compound has good oral bioavailability and a favorable pharmacokinetic profile. These findings indicate that it can be effectively absorbed and distributed in the body, making it a viable candidate for oral administration in therapeutic applications.
In addition to its therapeutic potential, 3-(3-Acetoxyphenyl)propanoic acid has found applications in materials science and chemical synthesis. Its unique structure makes it a valuable building block for the synthesis of more complex molecules. For example, it can be used as an intermediate in the synthesis of polymers with specific functional groups or as a precursor for the preparation of other biologically active compounds.
The safety profile of 3-(3-Acetoxyphenyl)propanoic acid has been evaluated through various toxicological studies. These studies have shown that the compound is generally well-tolerated at therapeutic doses and does not exhibit significant toxicity or adverse effects. However, as with any chemical compound, proper handling and storage precautions should be observed to ensure safety in laboratory settings.
In conclusion, 3-(3-Acetoxyphenyl)propanoic acid (CAS No. 60549-42-0) is a multifaceted compound with a wide range of potential applications in pharmaceuticals, materials science, and chemical synthesis. Its unique combination of functional groups provides it with valuable properties such as anti-inflammatory activity, antioxidant effects, and good pharmacokinetic characteristics. Ongoing research continues to uncover new possibilities for this compound, making it an exciting area of study for scientists and researchers across multiple disciplines.
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