Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Diethyl ethylmethylmalonate |
EINECS | 218-070-8 |
CAS No. | 2049-70-9 | Density | 1.008 g/cm3 |
PSA | 52.60000 | LogP | 1.38480 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H18O4 | Boiling Point | 217.8 °C at 760 mmHg |
Molecular Weight | 202.251 | Flash Point | 93.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Malonicacid, ethylmethyl-, diethyl ester (7CI,8CI);Propanedioic acid, ethylmethyl-,diethyl ester (9CI);Diethyl 2-ethyl-2-methylmalonate;Diethylethylmethylmalonate;Diethyl methylethylmalonate; |
Article Data | 17 |
The CAS register number of Diethyl ethylmethylmalonate is 2049-70-9. It also can be called as Propanedioic acid,2-ethyl-2-methyl-, 1,3-diethyl ester and the IUPAC name about this chemical is diethyl 2-ethyl-2-methylpropanedioate. The molecular formula about this chemical is C10H18O4 and the molecular weight is 202.25.
Physical properties about Diethyl ethylmethylmalonate are: (1)ACD/LogP: 1.93; (2)ACD/LogD (pH 5.5): 1.93; (3)ACD/LogD (pH 7.4): 1.93; (4)ACD/BCF (pH 5.5): 17.29; (5)ACD/BCF (pH 7.4): 17.29; (6)ACD/KOC (pH 5.5): 267.72; (7)ACD/KOC (pH 7.4): 267.72; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 52.6Å2; (11)Index of Refraction: 1.43; (12)Molar Refractivity: 51.89 cm3; (13)Molar Volume: 200.6 cm3; (14)Polarizability: 20.57x10-24cm3; (15)Surface Tension: 31.3 dyne/cm; (16)Flash Point: 93.4 °C; (17)Enthalpy of Vaporization: 45.42 kJ/mol; (18)Boiling Point: 217.8 °C at 760 mmHg; (19)Vapour Pressure: 0.13 mmHg at 25°C.
Preparation: this chemical can be prepared by iodoethane and methylmalonic acid diethyl ester. This reaction will need reagent sodium ethylate.
Uses of Diethyl ethylmethylmalonate: it can be used to produce 2-ethyl-2-methyl-malonic acid monoethyl ester. The yield is about 74%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)(C)CC
(2)InChI: InChI=1/C10H18O4/c1-5-10(4,8(11)13-6-2)9(12)14-7-3/h5-7H2,1-4H3
(3)InChIKey: ODRGILDUWDVBJX-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H18O4/c1-5-10(4,8(11)13-6-2)9(12)14-7-3/h5-7H2,1-4H3
(5)Std. InChIKey: ODRGILDUWDVBJX-UHFFFAOYSA-N