Ethyl 2-ethylacetoacetate - CAS 607-97-6
Catalog: |
BB030812 |
Product Name: |
Ethyl 2-ethylacetoacetate |
CAS: |
607-97-6 |
Synonyms: |
ethyl 2-ethyl-3-oxobutanoate |
IUPAC Name: | ethyl 2-ethyl-3-oxobutanoate |
Description: | Ethyl 2-Ethylacetoacetate was a useful reagent in systematic investigation of saccharomyces cerevisiae enzymes catalyzing carbonyl reductions. |
Molecular Weight: | 158.19 |
Molecular Formula: | C8H14O3 |
Canonical SMILES: | CCC(C(=O)C)C(=O)OCC |
InChI: | InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3 |
InChI Key: | OKANYBNORCUPKZ-UHFFFAOYSA-N |
Boiling Point: | 190 °C at 760 mmHg |
Purity: | 97 % |
Density: | 0.981 g/cm3 |
MDL: | MFCD00039898 |
LogP: | 1.16470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021122978-A1 | Non aqueous crosslinkable composition | 20191219 |
US-2021128561-A1 | MRGX Receptor Antagonists | 20191031 |
WO-2021077102-A1 | Novel antiparasitic compounds and methods | 20191018 |
WO-2020187928-A1 | Non-aqueous crosslinkable composition | 20190318 |
EP-3781570-A1 | Macrocyclic indoles as mcl-1 inhibitors | 20181122 |
PMID | Publication Date | Title | Journal |
22005738 | 20120401 | Characterization of a thermostable methylaspartate ammonia lyase from Carboxydothermus hydrogenoformans | Applied microbiology and biotechnology |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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