Benzyl acetoacetate - CAS 5396-89-4
Catalog: |
BB028423 |
Product Name: |
Benzyl acetoacetate |
CAS: |
5396-89-4 |
Synonyms: |
benzyl 3-oxobutanoate |
IUPAC Name: | benzyl 3-oxobutanoate |
Description: | Benzyl Acetoacetate functions as a synthetic or pharmaceutical intermediate. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | CC(=O)CC(=O)OCC1=CC=CC=C1 |
InChI: | InChI=1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
InChI Key: | WOFAGNLBCJWEOE-UHFFFAOYSA-N |
Boiling Point: | 298.3 °C at 760 mmHg |
Melting Point: | 162.00 to 164.00 °C at 16.00 mm Hg |
Flash Point: | 120.7°C |
Purity: | 95 % |
Density: | 1.112 g/cm3 |
Solubility: | It is soluble in alkali solutions. |
Appearance: | Clear colorless to yellow liquid |
MDL: | MFCD00008785 |
LogP: | 1.70890 |
Refractive Index: | n20/D 1.512(lit.) |
GHS Hazard Statement: | H315 (74%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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CN-111423353-A | Polysubstituted N-arylpyrrole compound and preparation method thereof | 20200429 |
WO-2021202536-A1 | Improved wavelength conversion film | 20200330 |
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PMID | Publication Date | Title | Journal |
15704885 | 20050217 | Synthesis and characterization of polyester dendrimers from acetoacetate and acrylate | Organic letters |
11325284 | 20010504 | Synthesis of polycyclic guanidines by cyclocondensation reactions of N-amidinyliminium ions | The Journal of organic chemistry |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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