Diethyl butylmalonate

What is Diethyl butylmalonate, cas no. 133-08-4,a producer telling you the result.

CAS NO. 133-08-4

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To begin with, let us tell you what is the basic information of Diethyl butylmalonate CAS NO. 133-08-4 ?

Molecular Weight

216.274

Molecular Formula

C11H20O4

Density

1.0±0.1 g/cm3

Boiling Point

237.5±0.0 °C at 760 mmHg

Melting Point

119ºC

Flash Point

93.9±0.0 °C

 

Like many stuff, it has many synonyms as follows

MFCD00009170

EINECS 205-089-1

Ethyl butylmalonate

diethyl 2-butylpropanedioate

Diethyl n-butylmalonate

Diethyl butylmalonate

Butylmalonic a cid diethyl ester

n-Butylmalonic acid diethyl ester

Propanedioic acid, 2-butyl-, diethyl ester

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

Molecular structure data

1. Molar refractive index: 56.51

2. Molar volume (cm3/mol): 217.4

3. Isometric volume (90.2K): 516.6

4. Surface tension (3.0 dyne/cm): 31.8

5. Polarization rate (0.5 10-24cm3): 22.40

Computational Chemistry Data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 4

4. Number of rotatable chemical bonds: 9

5. Number of tautomers: None

6. Topological molecule polarity surface area 52.6

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 183

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

This product has an anesthetic effect and can cause breathing difficulties when inhaled. Attention should be paid to sealing the equipment during the production process to prevent leakage and maintain good ventilation. Wear protective gear and rinse with soap and water after skin contact.

Storage method

This product is packaged in iron drums, with a specification of 200kg. Store in a dry and cool place. Store and transport according to regulations for flammable chemicals.

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

First, synthesis line of Diethyl butylmalonate CAS NO. 133-08-4 as follows

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Third, what is the usage of Diethyl butylmalonate CAS NO. 133-08-4  pleas see below

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  1. Used for Organic synthesis intermediates, mainly used in pharmaceutical manufacturing, are raw materials for drugs such as 4-butyl-1,2-diphenyl-3,5-pyrazolidinone.

 

Other usages as below

 

Can be used for the synthsis of the chemical, 2-butylbutanedioic acid ,  Cas No.:. 1457-39-2

 

Can be used for the synthsis of the chemical , Phenylbutazone ,      Cas No.: 50-33-9

 

Can be used for the synthsis of the chemical, 2-Methylhexan-1-ol ,  Cas No.:. 624-22-6

 

 

Besides Safety Information of Diethyl butylmalonate CAS NO. 133-08-4 is also important when handling it

 

Hazard Codes 

Xi

WGK Germany 

3

HSCode

2917190090

TSCA 

Yes

HazardClass 

IRRITANT

 

 

What is the appearance of Diethyl butylmalonate CAS NO. 133-08-4?   Please see the picture of Diethyl butylmalonate CAS NO. 133-08-4, below

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Specification of Diethyl butylmalonate CAS NO. 133-08-4, is below

Apperance: Colorless liquid with a fruity aroma

Assay: 99 % min by GC

IR identity: conform

Water:0.5% max by K.F.

 

HNMR  picture of  Diethyl butylmalonate CAS NO. 133-08-4  is as follows,

 

IR  picture of  Diethyl butylmalonate CAS NO. 133-08-4      is as follows,

 

Reference of  Article cited for your reference below,

(1)

Oat-Derived β-Glucans Induced Trained Immunity Through Metabolic Reprogramming

Publication Name: Inflammation

Publication Date: 2020-03-13

PMID: 32170601

DOI: 10.1007/s10753-020-01211-2

(2)

Tanshinone IIA prevents LPS-induced inflammatory responses in mice via inactivation of succinate dehydrogenase in macrophages

PMID: 33028985

Publication Date: 2020

Publication Name: Acta Pharmacologica Sinica

(3)

Synthesis of 2-butyl-4,9-decadienoic and 2-butyl-4,9-dimethyl-4,9-decadienoic acids, structural analogues of cygerol

Publication Date: 2007

Publication Name: Moscow University Chemistry Bulletin