Cas no 56816-01-4 (Ethyl (S)-3-hydroxybutyrate)

Ethyl (S)-3-hydroxybutyrate is a chiral ester widely utilized in organic synthesis and pharmaceutical applications due to its role as a key intermediate in the production of bioactive compounds. Its (S)-configuration is particularly valuable for asymmetric synthesis, enabling the construction of stereochemically complex molecules with high enantiomeric purity. The compound exhibits good solubility in common organic solvents, facilitating its use in various reaction conditions. Its stability under standard storage conditions and compatibility with diverse synthetic methodologies further enhance its utility in fine chemical and medicinal chemistry research. Ethyl (S)-3-hydroxybutyrate is also employed in flavor and fragrance industries owing to its mild, fruity odor profile.
Ethyl (S)-3-hydroxybutyrate structure
Ethyl (S)-3-hydroxybutyrate structure
Product Name:Ethyl (S)-3-hydroxybutyrate
CAS No:56816-01-4
MF:C6H12O3
MW:132.157682418823
MDL:MFCD00066206
CID:57023
PubChem ID:6950306
Update Time:2025-06-13

Ethyl (S)-3-hydroxybutyrate Chemical and Physical Properties

Names and Identifiers

    • (S)-Ethyl 3-hydroxybutanoate
    • Ethyl (S)-(+)-3-Hydroxybutyrate
    • (S)-(+)-3-Hydroxy-n-butyric Acid Ethyl Ester
    • (S)-Ethyl-3-hydroxybutyrate
    • Ethyl (S)-3-hydroxybutyrate
    • Ethyl (3S)-3-hydroxybutanoate
    • (S)-(+)-3-Hydroxybutyric Acid Ethyl Ester
    • Butanoicacid, 3-hydroxy-, ethyl ester, (S)-
    • (+)-Ethyl 3-hydroxybutyrate
    • (3S)-3-Hydroxybutyric acid ethyl ester
    • (S)-(+)-3-Hydroxy-n-butyrate ethylester
    • (S)-(+)-Ethyl 3-hydroxybutanoate
    • (S)-(+)-Ethyl 3-hydroxybutyrate
    • (S)-3-Hydroxybutanoic acid ethyl ester
    • (S)-3-Hydroxybutyric acid ethyl ester
    • (S)-Ethyl 3-hydroxybutyrate
    • Ethyl (+)-3-hydroxybutanoate
    • Ethyl (S)-(+)-b-hydroxybutyrate
    • Ethyl(S)-3-hydroxybutanoate
    • Ethyl (S)-3-hydroxybutanoate
    • Butanoic acid, 3-hydroxy-, ethyl ester, (3S)-
    • Ethyl (S)-(-)-3-hydroxybutyrate
    • PubChem15560
    • ethyl(3s)-3-hydroxybutanoate
    • ethyl (3S)-3-oxidanylbutanoate
    • (S)-3-Hydroxybutyric acid
    • Ethyl (S)-3-hydroxybutyrate, 99%
    • OMSUIQOIVADKIM-YFKPBYRVSA-N
    • MFCD00066206
    • BP-10061
    • (S)-(+)-3-hydroxy-butyric acid ethyl ester
    • CS-0112519
    • (R)-3-Hydroxybutyric acid ethyl ester
    • SCHEMBL54111
    • HY-W076441
    • NS00087744
    • 56816-01-4
    • ethyl(s)-3-hydroxybutyrate
    • DTXSID301031807
    • AS-19211
    • A831188
    • H0975
    • (3S)-3-hydroxybutanoic acid ethyl ester
    • F16431
    • EN300-318286
    • AKOS015843310
    • DB-009739
    • Ethyl(S)-(+)-3-hydroxybutyrate
    • MDL: MFCD00066206
    • Inchi: 1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1
    • InChI Key: OMSUIQOIVADKIM-YFKPBYRVSA-N
    • SMILES: O(CC)C(C[C@H](C)O)=O

Computed Properties

  • Exact Mass: 132.07866
  • Monoisotopic Mass: 132.079
  • 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: 1
  • Undefined Atom Stereocenter Count : 0
  • 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: liquid
  • Density: 1.012?g/mL?at 20?°C(lit.)
  • Melting Point: 180-182 °C
  • Boiling Point: 180-182?°C(lit.)
  • Flash Point: Degrees Fahrenheit:147.2°F
    Degrees Celsius:64°C
  • Refractive Index: n20/D 1.421(lit.)
  • Solubility: Soluble in chloroform
  • PSA: 46.53
  • LogP: 0.32040
  • Solubility: Not determined
  • Specific Rotation: 43 o (c=1, chloroform)
  • Optical Activity: [α]20/D +43°, c =?1 in chloroform
  • Vapor Pressure: No data available

Ethyl (S)-3-hydroxybutyrate Security Information

  • Prompt:warning
  • Signal Word:warning
  • Hazard Statement: H227
  • Warning Statement: P210-P280-P370+P378-P403+P235-P501
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: S23;S24/25
  • Safety Term:S23;S24/25
  • Storage Condition:Store at 4°C,-4At ℃Store…Better

Ethyl (S)-3-hydroxybutyrate Customs Data

  • HS CODE:29181990

Ethyl (S)-3-hydroxybutyrate Pricemore >>

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Ethyl (S)-3-hydroxybutyrate Suppliers

Amadis Chemical Company Limited
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(CAS:56816-01-4)Ethyl (S)-3-hydroxybutyrate
Order Number:A831188
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:21
Price ($):194.0
Suzhou Senfeida Chemical Co., Ltd
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(CAS:56816-01-4)Ethyl (S)-3-hydroxybutyrate
Order Number:sfd5767
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:56816-01-4)(S)-3-羥基丁酸乙酯
Order Number:LE25473728
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:49
Price ($):discuss personally

Ethyl (S)-3-hydroxybutyrate Related Literature

Additional information on Ethyl (S)-3-hydroxybutyrate

Ethyl (S)-3-hydroxybutyrate (CAS No. 56816-01-4): A Key Intermediate in Modern Chemical and Pharmaceutical Applications

Ethyl (S)-3-hydroxybutyrate, identified by the chemical compound code CAS No. 56816-01-4, is a significant intermediate in the realm of chemical synthesis and pharmaceutical development. This compound, characterized by its chiral center, has garnered considerable attention due to its versatile applications in various biochemical pathways and synthetic processes.

The molecular structure of Ethyl (S)-3-hydroxybutyrate consists of a hydroxy group and an ethyl ester moiety attached to a butyric acid backbone. This unique configuration makes it a valuable building block for the synthesis of more complex molecules, particularly in the pharmaceutical industry. The presence of the (S)-configuration at the chiral center enhances its utility in creating enantiomerically pure compounds, which are often required for drug development to ensure optimal efficacy and minimal side effects.

In recent years, Ethyl (S)-3-hydroxybutyrate has been extensively studied for its role in metabolic pathways and its potential therapeutic applications. Research has demonstrated that this compound can serve as a precursor for various bioactive molecules, including those involved in energy metabolism and neurotransmitter synthesis. Its ability to modulate these pathways has opened new avenues for treating metabolic disorders and neurological conditions.

One of the most notable applications of Ethyl (S)-3-hydroxybutyrate is in the field of metabolic research. Studies have shown that it can be converted into other important metabolites, such as β-hydroxybutyric acid, which plays a crucial role in ketone body metabolism. This conversion process is particularly relevant in conditions where energy production needs to be optimized, such as during fasting or intense physical activity.

The pharmaceutical industry has also explored the use of Ethyl (S)-3-hydroxybutyrate as a starting material for synthesizing novel drug candidates. Its chiral nature allows for the production of enantiomerically pure drugs, which are often more effective and safer than their racemic counterparts. For instance, researchers have investigated its potential use in developing treatments for neurological disorders, where the precise stereochemistry of drugs is critical.

Moreover, Ethyl (S)-3-hydroxybutyrate has shown promise in the area of synthetic organic chemistry. Its reactivity with various functional groups makes it a valuable tool for constructing complex molecular frameworks. Chemists have utilized this compound to develop novel synthetic routes for heterocyclic compounds, which are widely used in pharmaceuticals and agrochemicals.

The production of Ethyl (S)-3-hydroxybutyrate has also seen advancements due to modern biotechnological techniques. Fermentation processes using engineered microorganisms have enabled the efficient synthesis of this compound on an industrial scale. These biotechnological approaches not only improve yield but also make the production process more environmentally sustainable compared to traditional chemical synthesis methods.

In conclusion, Ethyl (S)-3-hydroxybutyrate (CAS No. 56816-01-4) is a multifaceted compound with significant implications in both chemical synthesis and pharmaceutical applications. Its role as an intermediate in metabolic pathways and its potential use in drug development underscore its importance in modern science. As research continues to uncover new applications for this compound, its relevance is expected to grow further, making it a cornerstone in future advancements.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:56816-01-4)Ethyl (S)-3-hydroxybutyrate
A831188
Purity:99%
Quantity:100g
Price ($):194.0
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:56816-01-4)Ethyl (S)-3-hydroxybutyrate
sfd5767
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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