1-Methyl-1-cyclohexanecarboxylic Acid - ≥99%(GC) , CAS No.1123-25-7

CAS: 1123-25-7 Cat. No.: M157925 Formule: C₈H₁₄O₂ Poids moléculaire: 142.2 Beilstein Registry Number: 9,15 Numéro CE: 214-371-3

GRADE & PURITY ≥99%(GC)

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

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

1-Methyl-1-cyclohexanecarboxylic acid was used as internal standard during the determination of valproic acid metabolites

Specifications

Synonymes

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

Spécifications et pureté

≥99%(GC)

Mécanismes biochimiques et physiologiques

1-Methyl-1-cyclohexanecarboxylic acid is an anticonvulsant drug and causes maturation of murine neuroblastoma cells in vitro

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%(GC)

Noms et identifiants

• Pubchem Sid: 488184584
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184584
• Sourires canoniques: CC1(CCCCC1)C(=O)O
• IUPAC Name: 1-methylcyclohexane-1-carboxylic acid
• InChIKey: REHQLKUNRPCYEW-UHFFFAOYSA-N
• INCHI: 1S/C8H14O2/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)
• Isomères SMILES: CC1(CCCCC1)C(=O)O
• WGK Allemagne: 3
• RTECS: GU8585500
• Poids moléculaire: 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=

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

• Solubilité: Soluble in chloroform and methanol.
• Point d'éclair (°F): 212°F
• Point d'éclair (°C): 100 °C
• Point d'ébullition (°C): 236°C
• Point de fusion (°C): 38 °C
• Poids moléculaire: 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 Ų
• 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