Name: DIETHYL ISOPROPYLMALONATE
SKU: 2049-70-9

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Basic Information

Molecular Structure:
CAS No.:	2049-70-9
Name:	DIETHYL ISOPROPYLMALONATE
Article Data:	17

Formula:	C₁₀H₁₈O₄
Molecular Weight:	202.251
Synonyms:	Malonicacid, ethylmethyl-, diethyl ester (7CI,8CI);Propanedioic acid, ethylmethyl-,diethyl ester (9CI);Diethyl 2-ethyl-2-methylmalonate;Diethylethylmethylmalonate;Diethyl methylethylmalonate;
EINECS:	218-070-8
Density:	1.008 g/cm³
Boiling Point:	217.8 °C at 760 mmHg
Flash Point:	93.4 °C
PSA:	52.60000
LogP:	1.38480

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Specification

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