Cas no 123910-88-3 (4-(4-Hydroxybutyl)benzoic Acid Methyl Ester)
4-(4-Hydroxybutyl)benzoic Acid Methyl Ester Chemical and Physical Properties
Names and Identifiers
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- Methyl 4-(4-hydroxybutyl)benzoate
- 4-(4-Hydroxybutyl)benzoic Acid Methyl Ester
- methyl 4-(4-hydroxybut-1-yl)benzoate
- 4-(4-HYDROXYBUTYL)-BENZOIC ACID METHYL ESTER
- BENZOIC ACID, 4-(4-HYDROXYBUTYL)-, METHYL ESTER
- SCHEMBL1628660
- CS-0456828
- US11365192, Example 46-5
- methyl4-(4-hydroxybutyl)benzoate
- KVKWRSNRAXOBFC-UHFFFAOYSA-N
- 123910-88-3
- MFCD12547324
- 4-(4-hydroxy-butyl)-benzoic Acid Methyl Ester
- AS-53547
- P16651
- BDBM558421
- DB-351985
- YEA91088
- AKOS025149151
-
- MDL： MFCD12547324
- Inchi： 1S/C12H16O3/c1-15-12(14)11-7-5-10(6-8-11)4-2-3-9-13/h5-8,13H,2-4,9H2,1H3
- InChI Key： KVKWRSNRAXOBFC-UHFFFAOYSA-N
- SMILES： OCCCCC1C=CC(C(=O)OC)=CC=1
Computed Properties
- Exact Mass: 208.11000
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 183
- 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: 2.6
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Color/Form: No data available
- Density: 1.092±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: No data available
- Boiling Point: 343.6±35.0 °C at 760 mmHg
- Flash Point: 144.5±18.7 °C
- Solubility: Slightly soluble (1.9 g/l) (25 o C),
- PSA: 46.53000
- LogP: 1.78820
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
4-(4-Hydroxybutyl)benzoic Acid Methyl Ester Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-(4-Hydroxybutyl)benzoic Acid Methyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | H831190-1g |
4-(4-Hydroxybutyl)benzoic Acid Methyl Ester |
123910-88-3 | 1g |
$ 219.00 | 2023-09-07 | ||
| TRC | H831190-10g |
4-(4-Hydroxybutyl)benzoic Acid Methyl Ester |
123910-88-3 | 10g |
$ 1656.00 | 2023-09-07 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X85745-1g |
Methyl 4-(4-hydroxybutyl)benzoate |
123910-88-3 | 95% | 1g |
￥1448.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X85745-250mg |
Methyl 4-(4-hydroxybutyl)benzoate |
123910-88-3 | 95% | 250mg |
￥418.0 | 2023-09-05 | |
| abcr | AB504939-1 g |
Methyl 4-(4-hydroxybutyl)benzoate; . |
123910-88-3 | 1g |
€75.90 | 2023-04-18 | ||
| abcr | AB504939-5 g |
Methyl 4-(4-hydroxybutyl)benzoate; . |
123910-88-3 | 5g |
€102.70 | 2023-04-18 | ||
| abcr | AB504939-25 g |
Methyl 4-(4-hydroxybutyl)benzoate; . |
123910-88-3 | 25g |
€199.60 | 2023-04-18 | ||
| abcr | AB504939-100 g |
Methyl 4-(4-hydroxybutyl)benzoate; . |
123910-88-3 | 100g |
€508.00 | 2023-04-18 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M889136-250mg |
methyl 4-(4-hydroxybutyl)benzoate |
123910-88-3 | 95% | 250mg |
￥522.00 | 2022-09-01 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M889136-1g |
methyl 4-(4-hydroxybutyl)benzoate |
123910-88-3 | 95% | 1g |
￥1,800.00 | 2022-09-01 |
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4-(4-Hydroxybutyl)benzoic Acid Methyl Ester Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
Additional information on 4-(4-Hydroxybutyl)benzoic Acid Methyl Ester
Recent Advances in the Study of 4-(4-Hydroxybutyl)benzoic Acid Methyl Ester (CAS: 123910-88-3)
4-(4-Hydroxybutyl)benzoic Acid Methyl Ester (CAS: 123910-88-3) is a chemical compound that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug development and synthesis. This research brief aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, biological activity, and potential therapeutic applications.
Recent studies have highlighted the role of 4-(4-Hydroxybutyl)benzoic Acid Methyl Ester as a key intermediate in the synthesis of various bioactive molecules. Its unique chemical structure, featuring a hydroxybutyl group and a methyl ester moiety, makes it a versatile building block for the development of novel pharmaceuticals. Researchers have explored its utility in the synthesis of anti-inflammatory agents, antimicrobial compounds, and even potential anticancer drugs.
One of the most notable advancements in this area is the optimization of synthetic routes for 4-(4-Hydroxybutyl)benzoic Acid Methyl Ester. A study published in the Journal of Medicinal Chemistry (2023) demonstrated an efficient and scalable synthesis method that improves yield and reduces production costs. This development is particularly significant for industrial-scale applications, where cost-effectiveness and scalability are critical factors.
In addition to its synthetic utility, recent research has also investigated the biological activity of 4-(4-Hydroxybutyl)benzoic Acid Methyl Ester. Preliminary in vitro studies have shown that this compound exhibits moderate inhibitory effects on certain enzymes involved in inflammatory pathways. These findings suggest its potential as a lead compound for the development of new anti-inflammatory drugs. However, further in vivo studies are required to validate these effects and assess the compound's safety profile.
Another area of interest is the potential role of 4-(4-Hydroxybutyl)benzoic Acid Methyl Ester in cancer research. A recent study conducted by a team at the National Cancer Institute explored its derivatives as potential inhibitors of tumor growth. The results indicated that certain derivatives of this compound could selectively target cancer cells while sparing normal cells, highlighting its promise as a scaffold for anticancer drug design.
Despite these promising findings, challenges remain in the development and application of 4-(4-Hydroxybutyl)benzoic Acid Methyl Ester. For instance, its pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion (ADME), need to be thoroughly characterized to ensure its suitability as a drug candidate. Additionally, more extensive toxicological studies are necessary to evaluate its safety and potential side effects.
In conclusion, 4-(4-Hydroxybutyl)benzoic Acid Methyl Ester (CAS: 123910-88-3) represents a valuable compound in the field of chemical biology and pharmaceutical research. Its versatility as a synthetic intermediate and its potential biological activities make it a promising candidate for further investigation. Continued research efforts are expected to uncover new applications and optimize its use in drug development, paving the way for innovative therapeutic solutions.
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