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CAS No.: | 67354-35-2 |
---|---|
Name: | Ethyl 4-tert-butoxyacetoacetate |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C10H18O4 |
Molecular Weight: | 202.251 |
Synonyms: | 4-tert-Butoxy-3-oxobutyricacid ethyl ester;Ethyl 4-tert-butoxyacetoacetate; |
Density: | 1.008 g/cm3 |
Boiling Point: | 267.544 °C at 760 mmHg |
Flash Point: | 111.382 °C |
PSA: | 52.60000 |
LogP: | 1.32380 |
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The Ethyl 4-tert-butoxyacetoacetate, with the CAS registry number 67354-35-2, is also known as Butanoic acid,4-(1,1-dimethylethoxy)-3-oxo-, ethyl ester. This chemical's molecular formula is C10H18O4 and molecular weight is 202.25. What's more, its systematic name is called Ethyl 4-tert-butoxy-3-oxobutanoate.
Physical properties about Ethyl 4-tert-butoxyacetoacetate are: (1) ACD/LogP: 1.50; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 7; (6) Polar Surface Area: 52.6 Å2; (7) Index of Refraction: 1.431; (8) Molar Refractivity: 51.893 cm3; (9) Molar Volume: 200.616 cm3; (10) Surface Tension: 31.311 dyne/cm; (11) Density: 1.008 g/cm3; (12) Flash Point: 111.382 °C; (13) Enthalpy of Vaporization: 50.558 kJ/mol; (14) Boiling Point: 267.544 °C at 760 mmHg; (15) Vapour Pressure: 0.008 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CC(=O)OCC)COC(C)(C)C
(2) InChI: InChI=1/C10H18O4/c1-5-13-9(12)6-8(11)7-14-10(2,3)4/h5-7H2,1-4H3
(3) InChIKey: CVEFXRBXZIGLMA-UHFFFAOYAB