Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
|
M491852-1g
|
1g |
9
|
$103.90
|
|
|
M491852-5g
|
5g |
9
|
$344.90
|
|
|
M491852-25g
|
25g |
3
|
$1,236.90
|
|
|
M491852-100g
|
100g |
2
|
$3,434.90
|
|
| Synonyms | methyl 2-cyclohexylacetate | 14352-61-5 | Methyl cyclohexylacetate | Methylcyclohexylacetate | Methyl cyclohexaneacetate | Cyclohexaneacetic acid, methyl ester | MFCD00001516 | Cyclohexyl acetic acid methyl ester | EC 700-789-8 | SCHEMBL106265 | Methyl cyclohexylacetate, 99% |
|---|---|
| Specifications & Purity | ≥95% |
| Shipped In | Normal |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid esters |
| Direct Parent | Methyl esters |
| Alternative Parents | Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group. |
| External Descriptors | Not available |
|
|
|
| Pubchem Sid | 504757186 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757186 |
| IUPAC Name | methyl 2-cyclohexylacetate |
| INCHI | InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3 |
| InChIKey | IMXBRVLCKXGWSS-UHFFFAOYSA-N |
| Smiles | COC(=O)CC1CCCCC1 |
| Isomeric SMILES | COC(=O)CC1CCCCC1 |
| WGK Germany | 3 |
| Molecular Weight | 156.22 |
| Reaxy-Rn | 1935083 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1935083&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 15, 2022 | M491852 | |
| Certificate of Analysis | Dec 15, 2022 | M491852 | |
| Certificate of Analysis | Dec 15, 2022 | M491852 | |
| Certificate of Analysis | Dec 15, 2022 | M491852 | |
| Certificate of Analysis | Dec 15, 2022 | M491852 | |
| Certificate of Analysis | Dec 15, 2022 | M491852 | |
| Certificate of Analysis | Dec 15, 2022 | M491852 |
| Solubility | water: soluble0.3 g/L at 30 °C |
|---|---|
| Refractive Index | 1.446 |
| Flash Point(°F) | 177.8 °F |
| Flash Point(°C) | 81 °C |
| Boil Point(°C) | 201 °C |
| Molecular Weight | 156.220 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 156.115 Da |
| Monoisotopic Mass | 156.115 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |