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| Ethyl benzoylacetate, also known as ethyl 3-oxophenylpropionate, is an organic compound with the chemical formula C11H12O3, a molecular weight of 192.21, CAS number 94-02-0, and EINECS number 202-295-3. This substance is a colorless to pale yellow liquid with a boiling point of 265-270℃ (decomposes), a relative density of 1.122 (15/4℃), and a refractive index of 1.5338. It is insoluble in water but miscible with organic solvents such as ethanol, ether, and oils [1] [3-4] [6]. It easily turns yellow in air and sunlight and has a brandy-like aroma as well as woody, cherry, and phenolic notes. It does not exist in a naturally occurring form in nature. | |||||||||
94-02-0
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94-02-0
Ethyl benzoylacetate Basic information | |
Product Name: | Ethyl benzoylacetate |
CAS: | 94-02-0 |
MF: | C11H12O3 |
MW: | 192.21 |
EINECS: | 202-295-3 |
Mol File: | 94-02-0.mol |
Ethyl benzoylacetate Chemical Properties | |
Melting point | <0 °C |
Boiling point | 265-270 °C (lit.) |
density | 1.11 g/mL at 25 °C (lit.) |
vapor density | 6.6 (vs air) |
vapor pressure | 1 hPa (108 °C) |
refractive index | n20/D 1.52(lit.) |
FEMA | 2423 | ETHYL BENZOYLACETATE |
Fp | 147 °F |
storage temp. | Store below +30°C. |
solubility | alcohol: miscible |
pka | 9.85±0.23(Predicted) |
form | Powder |
color | Brown |
Odor | at 100.00 %. fruity cherry naphthyl hawthorn cumin phenolic almond spicy woody maraschino cherry |
Odor Type | fruity |
Water Solubility | INSOLUBLE |
Sensitive | Light Sensitive |
Merck | 143,767 |
JECFA Number | 834 |
BRN | 389944 |
Dielectric constant | 12.8（20℃） |
Cosmetics Ingredients Functions | PERFUMING |
InChI | 1S/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 |
SMILES | CCOC(=O)CC(=O)c1ccccc1 |
LogP | 1.87 |
CAS DataBase Reference | 94-02-0(CAS DataBase Reference) |
NIST Chemistry Reference | Ethyl benzoylacetate(94-02-0) |
EPA Substance Registry System | Benzenepropanoic acid, .beta.-oxo-, ethyl ester (94-02-0) |
