4-Methylcyclohexanecarboxylic Acid (cis- and trans- mixture) - ≥98% , CAS No.4331-54-8

CAS: 4331-54-8 Cat. No.: M158294 Formule: C₈H₁₄O₂ Poids moléculaire: 142.2 Beilstein Registry Number: 9(1)10 Numéro CE: 224-369-4

GRADE & PURITY ≥98%

Synonyms

EN300-92156 | FT-0600623 | 4-Methyl-1-cyclohexanecarboxylic acid, 99% | QTDXSEZXAPHVBI-LJGSYFOKSA-N | trans-4-Methyl-1-cyclohexanecarboxylic acid, 98% | AC-18445 | M7DSK28350 | Q27283584 | STK286091 | (1r,4r)-4-methylcyclohexane-1-carboxylic acid | 4-METH

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Application

4-Methyl-1-cyclohexanecarboxylic acid was used to investigate the palladium core-porous silica shell-nanoparticles catalyzed hydrogenation of 4-carboxybenzaldehyde (4-CBA) to p-toluic acid. It was also used in the synthesis of substituted cyclohexyl carbonyl chlorides.

Specifications

Synonymes

EN300-92156 | FT-0600623 | 4-Methyl-1-cyclohexanecarboxylic acid, 99% | QTDXSEZXAPHVBI-LJGSYFOKSA-N | trans-4-Methyl-1-cyclohexanecarboxylic acid, 98% | AC-18445 | M7DSK28350 | Q27283584 | STK286091 | (1r,4r)-4-methylcyclohexane-1-carboxylic acid | 4-METH

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488182614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182614
• Sourires canoniques: CC1CCC(CC1)C(=O)O
• IUPAC Name: 4-methylcyclohexane-1-carboxylic acid
• InChIKey: QTDXSEZXAPHVBI-UHFFFAOYSA-N
• INCHI: 1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
• Isomères SMILES: CC1CCC(CC1)C(=O)O
• WGK Allemagne: 2
• Poids moléculaire: 142.2
• Beilstein: 9(1)10
• Reaxy-Rn: 2041235
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041235&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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

Data sources

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

Propriétés chimiques et physiques

• Indice de réfraction: 1.46
• Point d'éclair (°F): >235.4 °F
• Point d'éclair (°C): >113 °C
• Point d'ébullition (°C): 140 °C/20 mmHg
• Poids moléculaire: 142.200 g/mol
• XLogP3: 2.100
• 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 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 123.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4331-54-8, the molecular formula is C8H14O2, and the molecular weight is 142.2 g/mol. InChIKey QTDXSEZXAPHVBI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.