Cas no 5405-41-4 (Ethyl 3-hydroxybutyrate)
Ethyl 3-hydroxybutyrate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 3-hydroxybutanoate
- 3-Hydroxybutyric acid ethylester
- Ethyl DL-3-Hydroxybutyrate
- 3-hydroxy Butanoic acid ethyl ester
- Butyric acid, 3-hydroxy-, ethyl ester
- Ethyl 3-hydroxybutyrate
- Butyric acid, β
- CH3CH(OH)CH2C(O)OC2H5
- dl-β
- DL-3-Hydroxy-n-butyrate ethyl ester
- Ethyl β
- ethyl 3-hydro
- Ethyl beta-hydroxybutyrate
- Ethyl-dl-β
- Ethyl-dl-beta-hydroxy n-butyrate
- -hydroxy n-butyrate
- -hydroxy-, ethyl ester
- -hydroxybutyrate
- -Hydroxy-n-butyric acid ethyl ester
- NSC 42916
- NSC 8115
- DL-3-Hydroxybutyric Acid Ethyl Ester
- 3-Hydroxy-butanoic acid ethyl ester
- Butanoic acid, 3-hydroxy-, ethyl ester
- FEMA No. 3428
- Ethyl (R)-(-)-3-hydroxybutyrate
- Ethyl 3-hydroxybutyrate (natural)
- Ethyl (1)-3-hydroxybutyrate
- OMSUIQOIVADKIM-UHFFFAOYSA-N
- Ethyl3-hydroxybutyrate
- grape butyrate
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- MDL: MFCD00004545
- Inchi: 1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
- InChI Key: OMSUIQOIVADKIM-UHFFFAOYSA-N
- SMILES: O(C([H])([H])C([H])([H])[H])C(C([H])([H])C([H])(C([H])([H])[H])O[H])=O
Computed Properties
- Exact Mass: 132.07866
- Monoisotopic Mass: 132.078644
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 90.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.2
- Topological Polar Surface Area: 46.5
Experimental Properties
- Color/Form: Colorless Transparent Liquid
- Density: 1.017?g/mL?at 25?°C(lit.)
- Boiling Point: 170?°C(lit.)
- Flash Point: Degrees Fahrenheit:170.6°F
Degrees Celsius:77°C - Refractive Index: n20/D 1.42(lit.)
- PSA: 46.53
- LogP: 0.32040
- FEMA: 3428
- Solubility: Both soluble in water and ethanol.
Ethyl 3-hydroxybutyrate Security Information
- Prompt:warning
- Hazard Statement: H227
- Warning Statement: P210-P280-P370+P378-P403+P235-P501
- Hazardous Material transportation number:UN 2394
- WGK Germany:3
- Safety Instruction: S24/25
- TSCA:Yes
- Safety Term:S24/25
- Storage Condition:Keep away from high temperature, sparks, flames and fire sources. Keep container closed when not in use. Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.
Ethyl 3-hydroxybutyrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 093719-10g |
Ethyl 3-hydroxybutanoate |
5405-41-4 | 95% | 10g |
£10.00 | 2022-03-01 | |
| Fluorochem | 093719-25g |
Ethyl 3-hydroxybutanoate |
5405-41-4 | 95% | 25g |
£18.00 | 2022-03-01 | |
| Fluorochem | 093719-100g |
Ethyl 3-hydroxybutanoate |
5405-41-4 | 95% | 100g |
£46.00 | 2022-03-01 | |
| Fluorochem | 093719-500g |
Ethyl 3-hydroxybutanoate |
5405-41-4 | 95% | 500g |
£175.00 | 2022-03-01 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R016629-100g |
Ethyl 3-hydroxybutyrate |
5405-41-4 | 98% | 100g |
¥57 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R016629-25g |
Ethyl 3-hydroxybutyrate |
5405-41-4 | 98% | 25g |
¥30 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R016629-500g |
Ethyl 3-hydroxybutyrate |
5405-41-4 | 98% | 500g |
¥199 | 2024-05-22 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | E30603-25G |
Ethyl 3-hydroxybutyrate |
5405-41-4 | 25g |
¥202.54 | 2023-11-09 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | W342807-SAMPLE-K |
Ethyl 3-hydroxybutyrate |
5405-41-4 | ≥97%, FG | 587.6 | 2021-05-17 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | W342807-100G-K |
Ethyl 3-hydroxybutyrate |
5405-41-4 | ≥97%, FG | 100G |
1430.29 | 2021-05-17 |
Ethyl 3-hydroxybutyrate Suppliers
Ethyl 3-hydroxybutyrate Related Literature
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Alejandro H. Orrego,Daniel Andrés-Sanz,Susana Velasco-Lozano,Mercedes Sanchez-Costa,José Berenguer,José M. Guisan,Javier Rocha-Martin,Fernando López-Gallego Catal. Sci. Technol. 2021 11 3217
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Sunil Kr. Jha,Ninoslav Marina,Chuanjun Liu,Kenshi Hayashi Anal. Methods 2015 7 9549
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3. Formation of the (R)- and (S)-enantiomers of ethyl 3-hydroxybutanoate and of 1-(1,3-dithian-2-yl)-2-hydroxypropane by microbial reductionRosanna Bernardi,Rosanna Cardillo,Dario Ghiringhelli J. Chem. Soc. Chem. Commun. 1984 460
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Alba E. Díaz-álvarez,Javier Francos,Beatriz Lastra-Barreira,Pascale Crochet,Victorio Cadierno Chem. Commun. 2011 47 6208
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Imke Schrader,Sarah Neumann,Rieke Himstedt,Alessandro Zana,Jonas Warneke,Sebastian Kunz Chem. Commun. 2015 51 16221
Additional information on Ethyl 3-hydroxybutyrate
Ethyl 3-hydroxybutyrate (CAS No. 5405-41-4): An Overview of Its Properties, Applications, and Recent Research Advances
Ethyl 3-hydroxybutyrate (CAS No. 5405-41-4) is a versatile compound with significant applications in various fields, including pharmaceuticals, biotechnology, and chemical synthesis. This compound is a derivative of 3-hydroxybutyric acid, which is a key intermediate in the metabolism of ketone bodies. The ethyl ester form of this compound has gained attention due to its unique properties and potential therapeutic applications.
Chemical Structure and Properties: Ethyl 3-hydroxybutyrate has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. It is a colorless liquid with a characteristic odor. The compound is soluble in water and many organic solvents, making it suitable for various chemical reactions and formulations. Its hydroxyl group and ester linkage contribute to its reactivity and functional versatility.
Synthesis: The synthesis of ethyl 3-hydroxybutyrate can be achieved through several methods. One common approach involves the esterification of 3-hydroxybutyric acid with ethanol in the presence of an acid catalyst. Another method involves the reduction of ethyl acetoacetate followed by hydrolysis and subsequent esterification. These synthetic routes are well-documented in the literature and are widely used in both laboratory and industrial settings.
Pharmaceutical Applications: Ethyl 3-hydroxybutyrate has shown promise in various pharmaceutical applications, particularly in the context of metabolic disorders and neurological conditions. Recent studies have highlighted its potential as a ketone body precursor, which can be used to manage conditions such as epilepsy, Alzheimer's disease, and Parkinson's disease. The compound's ability to increase ketone body levels in the blood can provide an alternative energy source for brain cells, potentially mitigating the effects of these conditions.
Biotechnological Applications: In biotechnology, ethyl 3-hydroxybutyrate is used as a building block for the production of polyhydroxyalkanoates (PHAs), a class of biodegradable polymers with applications in packaging, medical devices, and tissue engineering. PHAs are known for their biocompatibility and environmental friendliness, making them attractive alternatives to conventional plastics.
Recent Research Advances: Recent research has further expanded our understanding of ethyl 3-hydroxybutyrate's biological activities and potential therapeutic applications. A study published in the *Journal of Medicinal Chemistry* demonstrated that ethyl 3-hydroxybutyrate can enhance cognitive function in animal models of Alzheimer's disease by improving mitochondrial function and reducing oxidative stress. Another study in *Biochemical Pharmacology* showed that the compound can protect neurons from oxidative damage, suggesting its potential as a neuroprotective agent.
Safety and Toxicology: The safety profile of ethyl 3-hydroxybutyrate is an important consideration for its use in pharmaceutical and biotechnological applications. Preclinical studies have indicated that the compound is generally well-tolerated at therapeutic doses, with no significant adverse effects observed. However, as with any chemical compound, proper handling and storage are essential to ensure safety.
Conclusion: Ethyl 3-hydroxybutyrate (CAS No. 5405-41-4) is a multifaceted compound with a wide range of applications in pharmaceuticals, biotechnology, and chemical synthesis. Its unique properties make it a valuable component in various formulations and processes. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in the scientific community.
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