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4-Ethoxy-4-oxobutanoic acid

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Name

4-Ethoxy-4-oxobutanoic acid

EINECS 213-973-3
CAS No. 1070-34-4 Density 1.163 g/cm3
PSA 63.60000 LogP 0.41430
Solubility N/A Melting Point 8°C
Formula C6H10O4 Boiling Point 257.784 °C at 760 mmHg
Molecular Weight 146.143 Flash Point 106.201 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 1070-34-4 (MONO-ETHYL SUCCINATE) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Butanedioicacid, monoethyl ester (9CI);Succinic acid, ethyl ester (7CI);Succinic acid,monoethyl ester (8CI);3-Ethoxycarbonylpropionic acid;Ethyl hydrogen succinate;Monoethyl succinate;

Article Data 58

4-Ethoxy-4-oxobutanoic acid Specification

The Butanedioic acid, 1-ethyl ester, with the CAS registry number 1070-34-4, is also known as Monoethyl succinate. It belongs to the product categories of C6 to C7; Carbonyl Compounds; Esters. Its EINECS number is 213-973-3. This chemical's molecular formula is C6H10O4 and molecular weight is 146.14. What's more, its systematic name is 4-ethoxy-4-oxobutanoic acid. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxides.

Physical properties of Butanedioic acid, 1-ethyl ester are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): -2.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 2.95; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 52.6 Å2; (12)Index of Refraction: 1.44; (13)Molar Refractivity: 33.18 cm3; (14)Molar Volume: 125.6 cm3; (15)Surface Tension: 40.6 dyne/cm; (16)Density: 1.162 g/cm3; (17)Flash Point: 106.2 °C; (18)Enthalpy of Vaporization: 54.54 kJ/mol; (19)Boiling Point: 257.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00432 mmHg at 25°C.

Preparation: this chemical can be prepared by succinic acid diethyl ester at the ambient temperature. This reaction will need reagent NaOH, 0.01 M phosphate buffer with the reaction time of 0.25 hours. The yield is about 86%.

Uses of Butanedioic acid, 1-ethyl ester: it can be used to produce 3-chlorocarbonyl-propionic acid ethyl ester by heating. It will need reagent SOCl2 and solvent CH2Cl2. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC(=O)OCC
(2)InChI: InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)
(3)InChIKey: LOLKAJARZKDJTD-UHFFFAOYSA-N

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