Monoethyl Adipate

What is Monoethyl Adipate, cas no. 626-86-8,a producer telling you the result.

CAS NO. 626-86-8

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To begin with, let us tell you what is the basic information of Monoethyl Adipate CAS NO. 626-86-8 ?

Molecular Weight	174.194	Melting Point	28-29 °C(lit.)
Density	1.1±0.1 g/cm3	Boiling Point	285.7±13.0 °C at 760 mmHg
EINECS	210-966-7	MDL No.	MFCD00004419
Molecular Formula	C8H14O4	Flash Point	110.8±13.3 °C

Like many stuff, it has many synonyms as follows

6-Ethoxy-6-oxohexanoic acid

Hexanedioic acid, monoethyl ester

Adipic acid monoethyl ester

The chemical is very special

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toxicology data

1. Acute toxicity: Mammalian (species unknown) (oral) LD50: 4100 mg/kg

Due to the LD50 of 3000 mg/kg of table salt, the acute toxicity of BPA is the same as that of table salt.

Ecological data

For products that are slightly harmful to water, do not allow them to come into contact with groundwater, waterways, or sewage systems in large quantities. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 42.45

2. Molar volume (cm3/mol): 158.6

3. Isometric volume (90.2K): 396.9

4. Surface tension (dyne/cm): 39.1

5. Polarization rate (10-24cm3): 16.82

Computational Chemistry Data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond receptors: 4

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: None

6. Topological molecule polarity surface area 63.6

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 153

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

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

First, synthesis line of Monoethyl Adipate CAS NO. 626-86-8 as follows

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1. Preparation method:

Add 146g (1.0mol) of adipic acid (2), 120g of diethyl adipate (0.58mol), 50mL of dibutyl ether, and 30mL of concentrated hydrochloric acid to the reaction bottle equipped with a stirrer and reflux condenser. Heat the oil bath to form a uniform solution. Add 60mL (approximately 1mol) of 95% ethanol and reflux for 2 hours. Add another 30mL of 95% ethanol and continue the reflux reaction for 2 hours. Vacuum distillation. The front fractions are mainly ethanol, water, and n-butyl ether. Collect a fraction of 155-157 ℃/0.93kPa as monoethyl adipate (1), weighing 127g, with a yield of 73%. [1]

2. Preparation method:

Add 1160g of adipic acid, 940g of diethyl adipate (2), 400mL of anhydrous ethanol, and 200mL of concentrated hydrochloric acid to the reaction bottle equipped with a stirrer and reflux condenser. Heat and reflux under stirring for 4.5 hours. Evaporate volatile substances under reduced pressure, add 1L of benzene while still hot, and cool overnight at 5 ℃. Filter out white solid, wash with 500mL benzene, dry to obtain 310g of adipic acid. Add 850g of sodium bicarbonate dissolved in 6L of water to the filtrate while stirring. After adding, continue stirring for 10 minutes. Separate the benzene layer and steam out the benzene to obtain unreacted diethyl adipate. Add 500mL of benzene to the water layer, stir and acidifie with 900mL of hydrochloric acid. Separate the benzene layer, steam out benzene under reduced pressure, and obtain 920g of white solid compound (1) with a yield of 66% and 84% (calculated as unrecovered adipic acid and adipic acid and diethyl adipate, respectively), at 28-29 ℃. [2]

Third, what is the usage of Monoethyl Adipate CAS NO. 626-86-8 ? pleas see below

Main Usage:

Used for the intermediates of pharmaceuticals and as an intermediate in organic synthesis

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Other usages as below

Can be used for the synthsis of the chemical ethyl 6-(4-methoxyphenyl)-6-oxohexanoate,Cas No.:. 42916-80-3

Can be used for the synthsis of the chemical ethyl 6-oxo-6-phenylhexanoate,Cas No.: 4248-25-3

Can be used for the synthsis of the chemical Ethyl 2-oxocyclopentanecarboxylate,Cas No.:. 611-10-9

Besides Safety Information of Monoethyl Adipate CAS NO. 626-86-8 is also important when handling it

Hazard Codes	Xi
Safety Phrases	S23-S24/25
RIDADR	NONH for all modes of transport
WGK Germany	3
HS Code	2918 3000.90

What is the appearance of Monoethyl Adipate CAS NO. 626-86-8 ? Please see the picture of Monoethyl Adipate CAS NO. 626-86-8, below