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| CAS No.: | 620-79-1 |
|---|---|
| Name: | Ethyl 2-benzylacetoacetate |
| Article Data: | 102 |
| Molecular Structure: | |
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| Formula: | C13H16O3 |
| Molecular Weight: | 220.268 |
| Synonyms: | Hydrocinnamicacid, a-acetyl-, ethyl ester(6CI,7CI,8CI);2-Benzyl-3-oxobutanoic acid ethyl ester;Ethyl 2-acetyl-3-phenylpropanoate;Ethyl 2-acetyl-3-phenylpropionate;Ethyl 2-benzyl-3-oxobutanoate;Ethyl2-benzyl-3-oxobutyrate;Ethyl 2-benzylacetoacetate;Ethyl2-benzylacetylacetate;Ethyl a-acetylhydrocinnamate;Ethyl a-benzylacetoacetate;NSC 60581;a-Acetylbenzenepropanoic acid ethyl ester; |
| EINECS: | 210-651-4 |
| Density: | 1.07 g/cm3 |
| Boiling Point: | 276 °C at 760 mmHg |
| Flash Point: | 132.3 °C |
| Appearance: | Light yellow liquid |
| Hazard Symbols: |
 Xi
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| Safety: | 24/25 |
| PSA: | 43.37000 |
| LogP: | 1.99740 |
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Specification
The Ethyl 2-benzylacetoacetate, with the CAS registry number 620-79-1, is also known as Benzenepropanoic acid, alpha-acetyl-, ethyl ester. It belongs to the product categories of Acetics Acid and Esters; Aromatics; Miscellaneous Reagents; C12 to C63; Carbonyl Compounds; Esters; Alphabetical Listings; E-F; Flavors and Fragrances. Its EINECS registry number is 210-651-4. Its systematic name is called ethyl 2-benzyl-3-oxobutanoate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. You must avoid contacting it with skin and eyes. The product should be sealed and stored in cool and dry place. What's more, it is Light yellow liquid.
Physical properties of Ethyl 2-benzylacetoacetate: (1)ACD/LogP: 2.52; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 6; (4)Index of Refraction: 1.502; (5)Molar Refractivity: 60.72 cm3; (6)Molar Volume: 205.7 cm3; (7)Surface Tension: 37.7 dyne/cm; (8)Density: 1.07 g/cm3; (9)Flash Point: 132.3 °C; (10)Enthalpy of Vaporization: 51.45 kJ/mol; (11)Boiling Point: 276 °C at 760 mmHg; (12)Vapour Pressure: 0.00493 mmHg at 25°C.
Preparation: this chemical can be prepared by acetoacetic acid ethyl ester and chloromethyl-benzene. This reaction will need reagent boron fluoride.
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Uses of Ethyl 2-benzylacetoacetate: it can be used to produce 4-phenyl-butan-2-one at temperature of 180 - 190 °C. This reaction will need reagent water.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(C(=O)OCC)Cc1ccccc1)C
(2)InChI: InChI=1/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
(3)InChIKey: XDWQYMXQMNUWID-UHFFFAOYAG