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1-Methyl-1-cyclohexanecarboxylic Acid - >99.0%(GC), high purity , CAS No.1123-25-7

COA

Grade & Purity:

≥99%(GC)

Cas Number: 1123-25-7
Molecular Weight: 142.2
Beilstein Registry Number: 9,15
MDL number: MFCD00001463
PubChem CID: 70744
PubChem SID: 488184584

In stock

Item Number

M157925

Grouped product items
SKU	Size	Availability	Price
M157925-1g	1g	9	$9.90
M157925-5g	5g	9	$36.90
M157925-25g	25g	7	$162.90
M157925-100g	100g	1	$584.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	EC 214-371-3 \| SY004269 \| 4-09-00-00041 (Beilstein Handbook Reference) \| DL-Citramalic acid \| EINECS 214-371-3 \| 1-Methyl cyclohexanecarboxylic acid \| selenige Saeure \| SCHEMBL18449 \| 1-methylcyclohexane carboxylic acid \| 1-Methylcyclohexylcarboxylic acid
Specifications & Purity	≥99%(GC)
Biochemical and Physiological Mechanisms	1-Methyl-1-cyclohexanecarboxylic acid is an anticonvulsant drug and causes maturation of murine neuroblastoma cells in vitro
Shipped In	Normal
Product Description	1-Methyl-1-cyclohexanecarboxylic acid was used as internal standard during the determination of valproic acid metabolites

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	488184584
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184584
IUPAC Name	1-methylcyclohexane-1-carboxylic acid
INCHI	InChI=1S/C8H14O2/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)
InChIKey	REHQLKUNRPCYEW-UHFFFAOYSA-N
Smiles	CC1(CCCCC1)C(=O)O
Isomeric SMILES	CC1(CCCCC1)C(=O)O
WGK Germany	3
RTECS	GU8585500
Molecular Weight	142.2
Beilstein	9,15
Reaxy-Rn	1859220
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859220&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
J2021142	Certificate of Analysis	Aug 16, 2024	M157925
C23211060	Certificate of Analysis	Mar 30, 2023	M157925
D2320173	Certificate of Analysis	Mar 30, 2023	M157925
D2320177	Certificate of Analysis	Nov 04, 2021	M157925
D2320167	Certificate of Analysis	Nov 04, 2021	M157925
L2413327	Certificate of Analysis	Nov 04, 2021	M157925

Chemical and Physical Properties

Solubility	Soluble in chloroform and methanol.
Flash Point(°F)	212°F
Flash Point(°C)	100 °C
Boil Point(°C)	236°C
Melt Point(°C)	38 °C
Molecular Weight	142.200 g/mol
XLogP3	2.200
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	134.000
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

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