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Name |
Propanedioic acid,2-ethylidene-, 1,3-diethyl ester |
EINECS | 215-965-5 |
CAS No. | 1462-12-0 | Density | 1.049 g/cm3 |
PSA | 52.60000 | LogP | 1.05890 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H14O4 | Boiling Point | 232.1 °C at 760 mmHg |
Molecular Weight | 186.208 | Flash Point | 85.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Malonicacid, ethylidene-, diethyl ester (6CI,7CI,8CI);Propanedioic acid, ethylidene-,diethyl ester (9CI);Diethyl ethylidene malonate;Ethyl 2-ethoxycarbonyl-2-butenoate;Ethylidenemalonic acid diethyl ester;Ethylidenepropanedioic acid diethyl ester;NSC 1084; |
Article Data | 29 |
The Propanedioic acid,2-ethylidene-, 1,3-diethyl ester, with the CAS registry number 1462-12-0, is also known as Ethyl 2-ethoxycarbonyl-2-butenoate. It belongs to the product categories of C8 to C9; Carbonyl Compounds; Esters. Its EINECS number is 215-965-5. This chemical's molecular formula is C9H14O4 and molecular weight is 186.21. What's more, its IUPAC name is diethyl 2-ethylidenepropanedioate. When using it, you should avoid contact with skin and eyes. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of Propanedioic acid,2-ethylidene-, 1,3-diethyl ester are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.43; (6)ACD/BCF (pH 7.4): 29.43; (7)ACD/KOC (pH 5.5): 391.68; (8)ACD/KOC (pH 7.4): 391.68; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 47.19 cm3; (15)Molar Volume: 177.4 cm3; (16)Polarizability: 18.7×10-24cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 1.049 g/cm3; (19)Flash Point: 85.1 °C; (20)Enthalpy of Vaporization: 46.88 kJ/mol; (21)Boiling Point: 232.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0601 mmHg at 25°C.
Preparation of Propanedioic acid,2-ethylidene-, 1,3-diethyl ester: this chemical can be prepared by acetaldehyde and malonic acid diethyl ester at the temperature of 100 °C. This reaction will need reagent acetic anhydride with the reaction time of 20 hours. The yield is about 79.5%.
Uses of Propanedioic acid,2-ethylidene-, 1,3-diethyl ester: it can be used to produce (1,2-dimethyl-propyl)-malonic acid diethyl ester by irradiation. It will need reagent Zn(Cu) and solvent ethanol with the reaction time of 1 hour. The yield is about 63%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(=CC)C(=O)OCC
(2)InChI: InChI=1S/C9H14O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h4H,5-6H2,1-3H3
(3)InChIKey: LBBAWVLUOZVYCC-UHFFFAOYSA-N