Diethyl butylmalonate
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 |
Ethyl butylmalonate |
diethyl 2-butylpropanedioate |
Diethyl n-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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- 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 |
H.S.Code: |
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)
PMID: 33028985
Publication Date: 2020
Publication Name: Acta Pharmacologica Sinica
(3)
Publication Date: 2007
Publication Name: Moscow University Chemistry Bulletin