Methyl cyclohexanecarboxylate
CAS NO. 4630-82-4
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To begin with, let us tell you what is the basic information of Methyl cyclohexanecarboxylate CAS NO. 4630-82-4 ?
|
Molecular Formula |
C8H14O2 |
Molecular Weight |
142.196 |
|
Density |
1.0±0.1 g/cm3 |
Boiling Point |
183.0±0.0 °C at 760 mmHg |
|
Flash Point |
60.0±0.0 °C |
EINECS |
225-050-2 |
Like many stuff, it has many synonyms as follows
|
Cyclohexanecarboxylic acid methyl ester |
|
Methyl cyclohexylformate |
|
MFCD00001458 |
|
CYCLOHEXANECARBOXYLIC ACID,METHYL ESTER |
|
Cyclohexanecarboxylic acid, methyl ester |
|
methoxycarbonylcyclohexane |
|
methyl cyclohexane-carboxylate |
|
Methyl hexahydrobenzoate |
|
Hexahydrobenzoic acid methyl ester |
|
Methyl cyclohexylcarboxylate |
|
Methyl cyclohexanecarboxylate |
|
L6TJ AVO1 |
|
Methyl cyclohexanoate |
The chemical is very special
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toxicology data
1. Acute toxicity: rat caliber LD50: 3881mg/kg
Ecological data
It is usually not harmful to water, and materials should not be discharged into the surrounding environment without government permission
Molecular structure data
1. Molar refractive index: 38.62
2. Molar volume (m3/mol): 144.0
3. Isometric volume (90.2K): 344.3
4. Surface tension (dyne/cm): 32.6
5. Polarization rate (10-24cm3): 15.31
Computational Chemistry Data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond receptors: 2
4. Number of rotatable chemical bonds: 2
5. Topological molecular polarity surface area (TPSA): 26.3
6. Number of heavy atoms: 10
7. Surface charge: 0
8. Complexity: 114
9. Isotope atomic number: 0
10. Determine the number of atomic structure centers: 0
11. Uncertain number of atomic structure centers: 0
12. Determine the number of chemical bond stereocenters: 0
13. Uncertain number of 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 Methyl cyclohexanecarboxylate CAS NO. 4630-82-4 as follows
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Third, what is the usage of Methyl cyclohexanecarboxylate CAS NO. 4630-82-4 ? 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 Methyl trifluoroacetate,Cas No.: 431-47-0.
Can be used for the synthsis of the chemical 1-Cyclohexylethan-1-one,Cas No.: 823-76-7
Can be used for the synthsis of the chemical Diethyl methylphosphonate,Cas No.:. 683-08-9
Besides Safety Information of Methyl cyclohexanecarboxylate CAS NO. 4630-82-4 is also important when handling it
|
RIDADR |
UN 3272 3/PG 3 |
|
WGK Germany |
2 |
|
Packaging Group |
III |
|
Hazard Class |
3.2 |
|
HS Code |
2915 1300.00 |
What is the appearance of Methyl cyclohexanecarboxylate CAS NO. 4630-82-4 ? Please see the picture of Methyl cyclohexanecarboxylate CAS NO. 4630-82-4, below
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Specification of Methyl cyclohexanecarboxylate CAS NO. 4630-82-4, is below
Apperance: Colorless to pale yellow clear liquid.
Assay: 98 % min by GC
IR identity: conform
Water by KF:0.5% max.
HNMR picture of Methyl cyclohexanecarboxylate CAS NO. 4630-82-4 is as follows,
IR picture of Methyl cyclohexanecarboxylate CAS NO. 4630-82-4 is as follows,
Reference of Article cited for your reference below,
(1)
Publication Name: Catalysis Letters
Publication Date: 2022-03-29
DOI: 10.1007/s10562-022-03983-8
(2)
Oxidative Esterification of Alcohols with a Polyoxometalate-Containing Chromium Catalyst
Publication Name: Synfacts
Publication Date: 2021-07-20
(3)
Publication Name: Nano Research
Publication Date: 2023-06-10
