Cyclohexanecarboxylic acid ethyl ester

 CAS NO. 3289-28-9

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To begin with, let us tell you what is the basic information of  Cyclohexanecarboxylic acid ethyl ester Cas No. 3289-28-9 ?

 

Flash Point	68.5±3.5 °C	Molecular Weight	156.222
Density	1.0±0.1 g/cm3	Boiling Point	197.1±8.0 °C at 760 mmHg

 

Like many stuff, it has many synonyms as follows

MFCD00041734

ethyl cyclohexylmethanoate

Ethoxycarbonylcyclohexane

Ethyl cyclohexylcarboxylate

Ethyl cyclohexanecarboxylate

ethyl cyclohexane carboxylate

ethyl 2-cyclohexanecarboxylate

ethyl 4-cyclohexanecarboxylate

Ethyl hexahydrobenzoate

Ethyl cyclohexylformate

FEMA No. 3544

Cyclohexanecarboxylic acid ethyl ester

2-ethoxycarbonylcyclohexane

Cyclohexanecarboxylic acid, ethyl ester

L6TJ AVO2

EINECS 221-945-7

 

The chemical is very special

 

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Molecular structure data

1. Molar refractive index: 43.25

2. Molar volume (m3/mol): 160.5

3. Isometric volume (90.2K): 384.3

4. Surface tension (dyne/cm): 32.8

5. Polarization rate (10-24cm3): 17.14

Computational Chemistry Data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 2

4. Number of rotatable chemical bonds: 3

5. Topological molecular polarity surface area (TPSA): 26.3

6. Number of heavy atoms: 11

7. Surface charge: 0

8. Complexity: 126

9. Number of Isotope Atoms: 0

10. Determine the number of atomic structure centers: 0

11. Number of uncertain atomic construction centers: 0

12. Determine the number of chemical bond stereocenters: 0

13. Number of uncertain chemical bond stereocenters: 0

14. Number of covalent bond units: 1

 

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

 

 

First, synthesis line of Cyclohexanecarboxylic acid ethyl esterCas No. 3289-28-9 as follows

 

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1. Synthesis of cyclohexanone methyl ester through methyl benzoate in a yield of approximately 99%;

2. Synthesis of cyclohexanone methyl ester through methyl formate and cyclohexene, with a yield of approximately 48%;

 

Third, what is the usage of  Cyclohexanecarboxylic acid ethyl esterCas No. 3289-28-9 ?  pleas see below

 

Main Usage:

 

Organic synthesis intermediates

 

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Other usages as below

 

One kind of raw material for producing Dicyclohexylmethanol   cas no 4453-82-1,which is as follows

One kind of raw material for producing  Cyclohexanecarbohydrazide  cas no 38941-47-8, which is as follows

 

Besides Safety Information of Cyclohexanecarboxylic acid ethyl ester Cas No. 628-09-1  is also important when handling it

Hazard Codes	Xi
H.S. Code	2916209090

 

What is the appearance of Cyclohexanecarboxylic acid ethyl esterCas No. 3289-28-9 ?   Please see the picture of Cyclohexanecarboxylic acid ethyl esterCas No. 3289-28-9, below

 

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Specification of Cyclohexanecarboxylic acid ethyl esterCas No. 3289-28-9, is below

Apperance: colorless clear liquid

Assay: 99 % min by GC

IR identity: conform

Water by KF:0.5% max.

HNMR  picture of  Cyclohexanecarboxylic acid ethyl esterCas No. 3289-28-9 is as follows,

 

 

Reference of  Article cited for your reference below,

(1)

 

[CECSCREEN] METABOLITES: HBM4EU CECscreen: Screening List for Chemicals of Emerging Concern

Short_Description: HBM4EU CECscreen is a suspect screening list for Chemicals of Emerging Concern (CECs) plus metadata and predicted Phase 1 metabolites
Long_Description: HBM4EU CECscreen is a suspect screening list for Chemicals of Emerging Concern (CECs) plus metadata and predicted Phase 1 metabolites; this list contains the CECs only. CECScreen is part of the HBM4EU project (coord. UBA) > WP16"emerging chemicals"(lead INRA, JP Antignac/L Debrauwer) > Task 16.1 (lead IRAS, J Vlanderen / R Vermeulen) > Main contributor (J Meijer) > Involved Partners (M Lamoree, T Hamers, S Hutinet, A, Covaci, C Huber, M Krauss, DI Walker, EL Schymanski) and hosted on the NORMAN Suspect List Exchange.Further details in Meijer et al (2021) DOI: 10.1016/j.envint.2021.106511. Dataset DOI: 10.5281/zenodo.3956586.

(2)

• (1,2,3,4-tetrahydro-9-acridineimino) cyclohexane carboxylic acid and related compounds, preparation method thereof and use as medicament

  KR-0163186-B1; Grant Date: 1998-12-01