Cas no 50599-45-6 (1,4-dimethylcyclohexane-1-carboxylic acid)

1,4-Dimethylcyclohexane-1-carboxylic acid is a cycloaliphatic carboxylic acid characterized by its stable cyclohexane backbone with two methyl substituents at the 1 and 4 positions. This structure imparts steric and electronic effects that influence its reactivity and solubility properties. The compound is useful as an intermediate in organic synthesis, particularly in the production of fine chemicals, pharmaceuticals, and specialty materials. Its rigid cyclohexane ring enhances thermal and chemical stability, while the carboxylic acid group allows for further functionalization. The dimethyl substitution pattern can confer selectivity in reactions, making it valuable for stereochemical studies and tailored molecular designs. Suitable for controlled reactions under standard laboratory conditions.
1,4-dimethylcyclohexane-1-carboxylic acid structure
50599-45-6 structure
Product Name:1,4-dimethylcyclohexane-1-carboxylic acid
CAS No:50599-45-6
MF:C9H16O2
MW:156.222143173218
MDL:MFCD00856267
CID:364539
PubChem ID:12382528
Update Time:2025-06-08

1,4-dimethylcyclohexane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylic acid, 1,4-dimethyl-
    • 1,4-dimethylcyclohexane-1-carboxylic acid
    • 1,4-Dimethyl-cyclohexanecarboxylic acid
    • 1,4-dimethylcyclohexanecarboxylicacid
    • methyl 4-methylcyclohexane carboxylic acid
    • 1,4-dimethylcyclohexanecarboxylic acid
    • FHWQUVWJOVFLDJ-UHFFFAOYSA-N
    • DTXSID70495520
    • SCHEMBL8055224
    • EN300-330181
    • AKOS014728845
    • SCHEMBL8055626
    • SCHEMBL1468704
    • SCHEMBL20255525
    • SCHEMBL10203449
    • 50599-45-6
    • MDL： MFCD00856267
    • Inchi： 1S/C9H16O2/c1-7-3-5-9(2,6-4-7)8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
    • InChI Key： FHWQUVWJOVFLDJ-UHFFFAOYSA-N
    • SMILES： OC(C1(C)CCC(C)CC1)=O

Computed Properties

  • Exact Mass: 156.11508
  • Monoisotopic Mass: 156.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

1,4-dimethylcyclohexane-1-carboxylic acid Pricemore >>

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