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

CAS: 56586-13-1 Cat. No.: M492419 Summenformel: CH₃C₆H₁₀CO₂H Molekulargewicht: 142.2 EG-Nummer: 260-272-3

QUALITÄT & REINHEIT ≥98%

Synonyms

2-methylcyclohexane-1-carboxylic acid | 2-METHYL-1-CYCLOHEXANECARBOXYLICACID | EINECS 260-272-3 | 2-Methylcyclohexanecarboxylicacid | (+/-)-2-methyl-1-cyclohexane-carboxylic acid | DTXSID10901211 | Cyclohexanecarboxylic acid, 2-methyl- | EINECS 239-227-7

Storage

Room temperature

Shipped In

Normal

Übersicht

Application：

2-Methyl-1-cyclohexanecarboxylic acid was used in the synthesis of substituted cyclohexyl carbonyl chlorides.

Spezifikationen

Synonyme

2-methylcyclohexane-1-carboxylic acid | 2-METHYL-1-CYCLOHEXANECARBOXYLICACID | EINECS 260-272-3 | 2-Methylcyclohexanecarboxylicacid | (+/-)-2-methyl-1-cyclohexane-carboxylic acid | DTXSID10901211 | Cyclohexanecarboxylic acid, 2-methyl- | EINECS 239-227-7

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488186345

Kanonisches Lächeln

CC1CCCCC1C(=O)O

IUPAC Name

2-methylcyclohexane-1-carboxylic acid

InChIKey

VSKXJRZPVDLHFY-UHFFFAOYSA-N

INCHI

1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)

Isomere SMILES

CC1CCCCC1C(=O)O

WGK Deutschland

3

Molekulargewicht

142.2

Reaxy-Rn

2041284

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041284&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20/D 1.4633 (lit.)
• Flammpunkt (°F): 179.6 °F 闭环
• Flammpunkt (°C): 82°C 闭环
• Siedepunkt (°C): 241-242 °C/746 mmHg (lit.)
• Molekulargewicht: 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 Ų
• 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