Cas no 58420-21-6 (3-[4-(propan-2-yl)phenyl]propanoic acid)
3-[4-(propan-2-yl)phenyl]propanoic acid is a phenylpropanoic acid derivative featuring an isopropyl substituent on the phenyl ring. This compound is of interest in organic synthesis and pharmaceutical research due to its structural similarity to nonsteroidal anti-inflammatory drug (NSAID) precursors. The isopropyl group enhances lipophilicity, potentially improving membrane permeability and bioavailability. Its carboxylic acid functionality allows for further derivatization, making it a versatile intermediate in medicinal chemistry. The compound’s well-defined structure and purity ensure reproducibility in research applications. It is commonly utilized in the development of novel therapeutic agents and as a building block for more complex molecular architectures.
![3-[4-(propan-2-yl)phenyl]propanoic acid structure](https://ossimg.kuujia.com/scimg/58500/58420-21-6x500.png)
58420-21-6 structure
Product Name:3-[4-(propan-2-yl)phenyl]propanoic acid
CAS No:58420-21-6
MF:C12H16O2
MW:192.254243850708
MDL:MFCD01462077
CID:826268
PubChem ID:3801021
Update Time:2025-06-08
3-[4-(propan-2-yl)phenyl]propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-Isopropylphenyl)propionic acid
- 3-[4-(propan-2-yl)phenyl]propanoic acid
- 3-(4-propan-2-ylphenyl)propanoic acid
- 4-Isopropylbenzenepropanoic acid
- 3-(4-Isopropylphenyl)propanoic acid
- DTXSID80396610
- 3-(4-isopropylphenyl)propionic acid, AldrichCPR
- 58420-21-6
- SCHEMBL879572
- Z169914022
- STK397519
- CS-0241952
- DB-021665
- AKOS000206920
- F52866
- 4-isopropyldihydrocinnamic acid
- EN300-24213
- CSYAUJIRKNGPRT-UHFFFAOYSA-N
- MFCD01462077
- Benzenepropanoic acid, 4-(1-methylethyl)-
- F2167-9387
-
- MDL： MFCD01462077
- Inchi： 1S/C12H16O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3-4,6-7,9H,5,8H2,1-2H3,(H,13,14)
- InChI Key： CSYAUJIRKNGPRT-UHFFFAOYSA-N
- SMILES： OC(CCC1C=CC(=CC=1)C(C)C)=O
Computed Properties
- Exact Mass: 192.11500
- Monoisotopic Mass: 192.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 179
- 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: 3
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Density: 1.047
- Melting Point: 74-76°C
- Boiling Point: 310.5°C at 760 mmHg
- Flash Point: 207.6°C
- Refractive Index: 1.524
- PSA: 37.30000
- LogP: 2.82720
3-[4-(propan-2-yl)phenyl]propanoic acid Security Information
- Hazard Category Code： 36/37/38-22
- Safety Instruction： S26; S36/37/39
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Risk Phrases：R36/37/38
3-[4-(propan-2-yl)phenyl]propanoic acid Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-[4-(propan-2-yl)phenyl]propanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019119205-100g |
3-(4-Isopropylphenyl)propanoic acid |
58420-21-6 | 95% | 100g |
$537.00 | 2023-09-01 | |
| TRC | I873865-250mg |
3-(4-Isopropylphenyl)propionic Acid |
58420-21-6 | 250mg |
$ 75.00 | 2023-04-15 | ||
| TRC | I873865-1g |
3-(4-Isopropylphenyl)propionic Acid |
58420-21-6 | 1g |
$ 100.00 | 2022-06-04 | ||
| TRC | I873865-5g |
3-(4-Isopropylphenyl)propionic Acid |
58420-21-6 | 5g |
$ 340.00 | 2022-06-04 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 007473-25g |
3-(4-Isopropylphenyl)propionic acid |
58420-21-6 | 97% | 25g |
4697.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 007473-5g |
3-(4-Isopropylphenyl)propionic acid |
58420-21-6 | 97% | 5g |
1625.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 007473-25g |
3-(4-Isopropylphenyl)propionic acid |
58420-21-6 | 97% | 25g |
4697CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 007473-5g |
3-(4-Isopropylphenyl)propionic acid |
58420-21-6 | 97% | 5g |
1625CNY | 2021-05-07 | |
| TRC | I873865-1000mg |
3-(4-Isopropylphenyl)propionic Acid |
58420-21-6 | 1g |
$ 121.00 | 2023-04-15 | ||
| TRC | I873865-5000mg |
3-(4-Isopropylphenyl)propionic Acid |
58420-21-6 | 5g |
$ 414.00 | 2023-04-15 |
3-[4-(propan-2-yl)phenyl]propanoic acid Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
58420-21-6 (3-[4-(propan-2-yl)phenyl]propanoic acid) Related Products
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- 26372-51-0(Heptanedioic acid,3-phenyl-)
- 15954-43-5(Benzenepropanoic acid,4-(1,1-dimethylethyl)-b-methyl-)
- 1208-64-6(3-(4-tert-butylphenyl)propanoic acid)
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