Diethyl propylmalonate

What is Diethyl propylmalonate, cas no. 2163-48-6,a producer telling you the result.

 

CAS NO. 133-13-1

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To begin with, let us tell you what is the basic information of Diethyl propylmalonate CAS NO. 2163-48-6?

Flash Point

91.7±0.0 °C

Molecular Weight

202.247

Density

1.0±0.1 g/cm3

Boiling Point

221.5±0.0 °C at 760 mmHg

Molecular Formula

C10H18O4

MDL No.

MFCD00009168

 

Like many stuff, it has many synonyms as follows

EINECS 218-492-2

Propanedioic acid, propyl-, diethyl ester

Propanedioic acid, 2-propyl-, diethyl ester

Malonic acid, propyl-, diethyl ester

Malonic acid,propyl-,diethyl ester

Propylmalonic acid diethyl ester

Diethyl 2-propylmalonate

Diethyl propylmalonate

DIETHYL N-PROPYLMALONATE

 

First, the chemical is very special, some technical indexes as below

Ecological data

 

It is slightly harmful to water. Do not let undiluted or large amounts of products come into contact with groundwater, waterways, or sewage systems. Without government permission, do not discharge materials into the surrounding environment

 

Molecular structure data

1. Molar refractive index: 51.88

2. Molar volume (cm3/mol): 200.9

3. Isometric volume (90.2K): 476.8

4. Surface tension (dyne/cm): 31.7

5. Polarization rate (10-24cm3): 20.56

Computational Chemistry Data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 4

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: None

6. Topological molecule polarity surface area 52.6

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 171

10. Isotope atomic number: 0

11. Determine the number of atomic structure centers: 0

12. Number of uncertain atomic structure centers: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

 

Properties and Stability

Avoiding oxides, hazardous decomposition products include carbon monoxide and carbon dioxide

Storage method

The storage area must be away from oxidants, keep the container sealed, place it in a tight container, and store it in a cool, dry place

 

Second, the Synthetic Route we will recommend is the most important for your reference?

First, synthesis line of Diethyl propylmalonate CAS NO. 2163-48-6 as follows

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The preparation of diethyl propylmalonate is usually carried out through esterification reaction. The specific step is to esterify diethyl malonate anhydride with ethanol to generate diethyl malonate.

 

 

Third, what is the usage of  Diethyl propylmalonate CAS NO. 2163-48-6  pleas see below

 

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Mainly used for the intermediates for organic synthesis and pharmaceutical industry and pesticide industry.

 

Diethyl propylmalonate is mainly used as a solvent and plasticizer, and can be used in the rubber, resin, and coating industries.

 

 

Besides Safety Information of Diethyl propylmalonate CAS NO. 2163-48-6 is also important when handling it

 

Hazard Codes 

Xi

WGK Germany 

3

HSCode

2917190090

TSCA 

Yes

HazardClass 

IRRITANT

 

 

What is the appearance of Diethyl propylmalonate CAS NO. 2163-48-6?   Please see the picture of Diethyl propylmalonate CAS NO. 2163-48-6, below

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Specification of Diethyl propylmalonate CAS NO. 2163-48-6, is below

Apperance: colorless clear liquid

Assay: 99 % min by GC

IR identity: conform

Water:0.5% max by K.F.

 

HNMR  picture of  Diethyl propylmalonate CAS NO. 2163-48-6  is as follows,

IR  picture of  Diethyl propylmalonate CAS NO. 2163-48-6     is as follows,

 

 

Reference of  Article cited for your reference below,

 

(1)

An atom counting and electrophilicity based QSTR approach

Publication Name: Journal of Chemical Sciences

Publication Date: 2007-09

DOI: 10.1007/s12039-007-0061-1

(2)

Microparticle Depots for Controlled and Sustained Release of Endosomolytic Nanoparticles

Publication Date: 2019

Publication Name: Cellular and Molecular Bioengineering

(3)

Controlled Endolysosomal Release of Agents by pH-responsive Polymer Blend Particles

PMID: 25592550

Publication Date: 2015

Publication Name: Pharmaceutical Research