94-02-0
Ethyl benzoylacetate
CAS: 94-02-0
Molecular Formula: C11H12O3
94-02-0 - Names and Identifiers
| Name | Ethyl benzoylacetate |
| Synonyms | FEMA 2423 AKOS 92622 AKOS BBS-00004233 Ethyl benzoylacetate ETHYL BENZOYLACETATE LABOTEST-BB LTBB001316 Benzoylacetic acid ethyl ester ethyl 3-oxo-3-phenylpropanoate ETHYL 3-OXO-3-PHENYLPROPANOATE ETHYL BETA-KETO-BETA-PHENYLPROPIONATE 3-OXO-3-PHENYLPROPIONIC ACID ETHYL ESTER Ethyl benzoylacetate,(Benzoylacetic acid ethyl ester) |
| CAS | 94-02-0 |
| EINECS | 202-295-3 |
| InChI | InChI=1/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | GKKZMYDNDDMXSE-UHFFFAOYSA-N |
94-02-0 - Physico-chemical Properties
| Molecular Formula | C11H12O3 |
| Molar Mass | 192.21 |
| Density | 1.11 g/mL at 25 °C (lit.) |
| Melting Point | <0 °C |
| Boling Point | 265-270 °C (lit.) |
| Flash Point | 147°F |
| JECFA Number | 834 |
| Water Solubility | INSOLUBLE |
| Solubility | alcohol: miscible |
| Vapor Presure | 1 hPa (108 °C) |
| Vapor Density | 6.6 (vs air) |
| Appearance | Powder |
| Color | Brown |
| Merck | 14,3767 |
| BRN | 389944 |
| pKa | 9.85±0.23(Predicted) |
| Storage Condition | Store below +30°C. |
| Sensitive | Light Sensitive |
| Refractive Index | n20/D 1.52(lit.) |
| Physical and Chemical Properties | Colorless to pale yellow liquid. Boiling point 265 ℃ or 147 ℃(1433Pa). It has the aroma of brandy, wood, cherry and phenol, and has the taste of bitter whiskey. Insoluble in water, soluble in organic solvents, oils and fats, miscible in ethanol. Natural products are not found in nature. |
| Use | It is used as an intermediate for flavonoid drugs and also for the synthesis of color photo couplers |
94-02-0 - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | AF4878000 |
| TSCA | Yes |
| HS Code | 29183000 |
| Hazard Class | IRRITANT |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg |
94-02-0 - Reference Information
| FEMA | 2423 | ETHYL BENZOYLACETATE |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | ethyl benzoyl acetate is a colorless to pale yellow liquid, it is an important raw material for the synthesis of color photo couplers and some pharmaceutical intermediates. |
| Use | food flavor. It is mainly used for the preparation of fruit and wine flavor such as brandy. used in organic synthesis. It is used as an intermediate for flavonoid drugs and also for the synthesis of color photo couplers |
| production method | is obtained by reacting ethyl acetoacetate sodium salt with ethyl benzoate. obtained by polycondensation of ethyl benzoate and ethyl acetate with sodium ethoxide. |
| autoignition temperature | 375°C DIN 51794 |
Last Update：2024-04-09 02:00:12
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