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| CAS No.: | 74124-22-4 |
|---|---|
| Name: | Ethyl 3-oxotetradecanoate |
| Molecular Structure: | |
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| Formula: | C16H30O3 |
| Molecular Weight: | 270.412 |
| Synonyms: | 3-oxo-tetradecanoic acid ethyl ester; |
| Density: | 0.922 g/cm3 |
| Boiling Point: | 309.2 °C at 760 mmHg |
| Flash Point: | 126.8 °C |
| PSA: | 43.37000 |
| LogP: | 4.42960 |
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Specification
The Ethyl 3-oxotetradecanoate, with the CAS registry number 74124-22-4, is also called 3-oxo-tetradecanoic acid ethyl ester. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C16H30O3.
The characteristics of Ethyl 3-oxotetradecanoate are as followings: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 14; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.444; (8)Molar Refractivity: 77.97 cm3; (9)Molar Volume: 293.2 cm3; (10)Polarizability: 30.91×10-24cm3; (11)Surface Tension: 32.1 dyne/cm; (12)Density: 0.922 g/cm3; (13)Flash Point: 126.8 °C; (14)Enthalpy of Vaporization: 54.99 kJ/mol; (15)Boiling Point: 309.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00065 mmHg at 25°C.
Uses of Ethyl 3-oxotetradecanoate: It can react with [1,3,5]triazine to produce 5-decyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester. This reaction will need reagent sodium ethoxide, and the menstruum ethanol. The reaction time is 1 hour with heating, and the yield is about 37.7%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(CCCCCCCCCCC)CC(=O)OCC
(2)InChI: InChI=1/C16H30O3/c1-3-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19-4-2/h3-14H2,1-2H3
(3)InChIKey: WQTNJLRLUQMQEL-UHFFFAOYAE