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2-Methylcyclohexanecarboxylic acid - 98%, high purity , CAS No.56586-13-1

COA

Grade & Purity:

≥98%

Cas Number: 56586-13-1
Molecular Weight: 142.2
EC Number: 260-272-3
MDL number: MFCD00074907
PubChem CID: 85811
PubChem SID: 488186345

In stock

Item Number

M492419

Grouped product items
SKU	Size	Availability	Price
M492419-250mg	250mg	3	$69.90
M492419-1g	1g	3	$206.90
M492419-5g	5g	4	$824.90

Basic Description

Synonyms	56586-13-1 \| 2-Methylcyclohexanecarboxylic acid \| 2-Methyl-1-cyclohexanecarboxylic acid \| 2-methylcyclohexane-1-carboxylic acid \| Cyclohexanecarboxylic acid, 2-methyl- \| MFCD00074907 \| 2-Methyl-2-cyclohexanoic acid \| EINECS 239-227-7 \| EINECS 260-272-3 \| Cyclohexanecarboxy
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Application： 2-Methyl-1-cyclohexanecarboxylic acid was used in the synthesis of substituted cyclohexyl carbonyl chlorides.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acids
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acids
Alternative Parents	Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Monocarboxylic acid or derivatives - Carboxylic acid - 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 carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
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	488186345
IUPAC Name	2-methylcyclohexane-1-carboxylic acid
INCHI	InChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey	VSKXJRZPVDLHFY-UHFFFAOYSA-N
Smiles	CC1CCCCC1C(=O)O
Isomeric SMILES	CC1CCCCC1C(=O)O
WGK Germany	3
Molecular Weight	142.2
Reaxy-Rn	2041284
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041284&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.

4 results found

Lot Number	Certificate Type	Date	Item
A2331839	Certificate of Analysis	Sep 21, 2022	M492419
A2331824	Certificate of Analysis	Sep 21, 2022	M492419
C2506090	Certificate of Analysis	Sep 21, 2022	M492419
A2331844	Certificate of Analysis	Sep 21, 2022	M492419

Chemical and Physical Properties

Refractive Index	n20/D 1.4633 (lit.)
Flash Point(°F)	179.6 °F 闭环
Flash Point(°C)	82°C 闭环
Boil Point(°C)	241-242 °C/746 mmHg (lit.)
Molecular Weight	142.200 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	142.099 Da
Monoisotopic Mass	142.099 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	131.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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