Dimethyl ethylmalonate supplier

Name
Dimethyl ethylmalonate
EINECS 247-914-8
CAS No. 26717-67-9
Article Data20
CAS DataBase
Density 1.058 g/cm³
Solubility
Melting Point
Formula C₇H₁₂O₄
Boiling Point 189.1 °C at 760 mmHg
Molecular Weight 160.17
Flash Point 84.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malonicacid, ethyl-, dimethyl ester (8CI);Propanedioic acid, ethyl-, dimethyl ester (9CI);Dimethyl 2-ethylmalonate;
PSA 52.60000
LogP 0.35860

Dimethyl ethylmalonate Specification

The Dimethyl ethylmalonate, with CAS registry number 26717-67-9, belongs to the following product categories: (1)Pharmaceutical Intermediates; (2)The Malonate Ramification Products; (3)C6 to C7; (4)Carbonyl Compounds; (5)Esters. It has the systematic name of dimethyl ethylpropanedioate. What's more, its EINECS is 247-914-8.

Physical properties of Dimethyl ethylmalonate: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.46; (6)ACD/BCF (pH 7.4): 1.46; (7)ACD/KOC (pH 5.5): 45.65; (8)ACD/KOC (pH 7.4): 45.65; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 37.98 cm³; (15)Molar Volume: 151.4 cm³; (16)Polarizability: 15.05×10^-24cm³; (17)Surface Tension: 31 dyne/cm; (18)Enthalpy of Vaporization: 42.53 kJ/mol; (19)Vapour Pressure: 0.581 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(C(=O)OC)CC
(2)InChI: InChI=1/C7H12O4/c1-4-5(6(8)10-2)7(9)11-3/h5H,4H2,1-3H3
(3)InChIKey: XGRMVENQJLQMLT-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H12O4/c1-4-5(6(8)10-2)7(9)11-3/h5H,4H2,1-3H3
(5)Std. InChIKey: XGRMVENQJLQMLT-UHFFFAOYSA-N

Product Name

Dimethyl ethylmalonate

Dimethyl ethylmalonate Specification

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