Ethyl 3-hydroxybutyrate - CAS 5405-41-4
Catalog: |
BB028477 |
Product Name: |
Ethyl 3-hydroxybutyrate |
CAS: |
5405-41-4 |
Synonyms: |
ethyl 3-hydroxybutanoate |
IUPAC Name: | ethyl 3-hydroxybutanoate |
Description: | Ethyl 3-hydroxybutyrate (CAS# 5405-41-4) is a useful synthetic intermediate. It is a reagent used to synthesize α-azido carboxylic acids. It is also used in Palladium mediated spiroketal synthesis. |
Molecular Weight: | 132.16 |
Molecular Formula: | C6H12O3 |
Canonical SMILES: | CCOC(=O)CC(C)O |
InChI: | InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3 |
InChI Key: | OMSUIQOIVADKIM-UHFFFAOYSA-N |
Boiling Point: | 170 °C |
Flash Point: | 64°C |
Purity: | > 98.0 % (GC) |
Density: | 1.01 g/cm3 |
Solubility: | greater than or equal to 100 mg/mL at 73 °F |
Appearance: | Clear colorless liquid. |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004545 |
LogP: | 0.32040 |
Refractive Index: | 1.4195-1.415 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21412860 | 20110404 | Highly stereoselective total synthesis of fully hydroxy-protected mycolactones A and B and their stereoisomerization upon deprotection | Chemistry (Weinheim an der Bergstrasse, Germany) |
20838519 | 20100301 | Antibacterial Activity of some Medicinal Mangroves against Antibiotic Resistant Pathogenic Bacteria | Indian journal of pharmaceutical sciences |
19326950 | 20090513 | Examples of perceptive interactions involved in specific 'red-' and 'black-berry' aromas in red wines | Journal of agricultural and food chemistry |
18853207 | 20090101 | Effects of industrial storage on the bioreduction capacity of brewer's yeast | Journal of industrial microbiology & biotechnology |
18201766 | 20080424 | A substitutive substrate for measurements of beta-ketoacyl reductases in two fatty acid synthase systems | Journal of biochemical and biophysical methods |
Complexity: | 90.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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