Skip to the beginning of the images gallery

methyl trans-4-formylcyclohexanecarboxylate - 97%, high purity

COA

Grade & Purity:

≥97%

Cas Number: 54274-80-5
Molecular Weight: 170.208
PubChem CID: 11252253
PubChem SID: 504766209

In stock

Item Number

M176738

Grouped product items
SKU	Size	Availability	Price	Qty
M176738-1g	1g	1	$308.90

Basic Description

Synonyms	54274-80-5 \| (1r,4r)-methyl 4-formylcyclohexanecarboxylate \| 37942-76-0 \| methyl 4-formylcyclohexanecarboxylate \| Methyl trans-4-Formylcyclohexanecarboxylate \| trans-Methyl 4-formylcyclohexanecarboxylate \| Methyl 4-formylcyclohexane-1-carboxylate \| 4-FORMYL-CYCLOHEXANE
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid esters
        Level6 Methyl esters

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 Aldehydes
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504766209
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766209
IUPAC Name	methyl 4-formylcyclohexane-1-carboxylate
INCHI	InChI=1S/C9H14O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h6-8H,2-5H2,1H3
InChIKey	LARSGJZNVQJRMD-UHFFFAOYSA-N
Smiles	COC(=O)C1CCC(CC1)C=O
Isomeric SMILES	COC(=O)C1CCC(CC1)C=O
Alternate CAS	37942-76-0
Molecular Weight	170.208
Reaxy-Rn	3245117
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3245117&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
K2306552	Certificate of Analysis	Oct 23, 2023	M176738
K2306559	Certificate of Analysis	Oct 23, 2023	M176738

Chemical and Physical Properties

Molecular Weight	170.210 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	170.094 Da
Monoisotopic Mass	170.094 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration