Diethyl isopropylmalonate supplier

Name
Diethyl isopropylmalonate
EINECS 212-068-0
CAS No. 759-36-4
Article Data61
CAS DataBase
Density 1.004 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈O₄
Boiling Point 215 °C at 760 mmHg
Molecular Weight 202.251
Flash Point 96.3 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malonicacid, isopropyl-, diethyl ester (6CI,7CI,8CI);Propanedioic acid,(1-methylethyl)-, diethyl ester (9CI);(1-Methylethyl)propanedioic acid diethylester;Diethyl 2-(1-methylethyl)propanedioate;Diethyl 2-isopropylmalonate;Ethyl isopropylmalonate;Isopropylmalonic aciddiethyl ester;NSC 1007;
PSA 52.60000
LogP 1.38480

Diethyl isopropylmalonate Specification

The Diethyl isopropylmalonate, with CAS registry number 759-36-4, belongs to the following product categories: (1)The Malonate Ramification Products; (2)C10 to C11; (3)Carbonyl Compounds; (4)Esters. It has the systematic name of diethyl propan-2-ylpropanedioate. This chemical is a kind of clear colorless liquid. When use this chemical, avoid contact with skin and eyes. What's more, its EINECS is 212-068-0.

Physical properties of Diethyl isopropylmalonate: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.23; (6)ACD/BCF (pH 7.4): 17.23; (7)ACD/KOC (pH 5.5): 267.02; (8)ACD/KOC (pH 7.4): 267.01; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 51.84 cm³; (15)Molar Volume: 201.3 cm³; (16)Polarizability: 20.55×10^-24cm³; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 1.004 g/cm³; (19)Flash Point: 96.3 °C; (20)Enthalpy of Vaporization: 45.13 kJ/mol; (21)Boiling Point: 215 °C at 760 mmHg; (22)Vapour Pressure: 0.151 mmHg at 25°C.

Preparation: this chemical can be prepared by isopropylidene-malonic acid diethyl ester. This reaction will need reagent NaBH₄.

Uses of Diethyl isopropylmalonate: it can be used to produce 2-isopropyl-propane-1,3-diol. This reaction will need reagents lithium alanate, diethyl ether.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)C(C)C
(2)InChI: InChI=1/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3
(3)InChIKey: BYQFBFWERHXONI-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3
(5)Std. InChIKey: BYQFBFWERHXONI-UHFFFAOYSA-N

Product Name

Diethyl isopropylmalonate

Diethyl isopropylmalonate Specification

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