Cas no 131236-69-6 (Benzoic acid, 3-hydroxy-2,6-dimethyl-, methyl ester)

Benzoic acid, 3-hydroxy-2,6-dimethyl-, methyl ester is a synthetic organic compound belonging to the class of benzoate esters. Its molecular structure features hydroxyl and methyl substituents on the aromatic ring, contributing to its distinct chemical properties. This compound is primarily utilized in organic synthesis and as an intermediate in the production of specialty chemicals. Its ester functionality enhances solubility in organic solvents, making it suitable for applications in fragrances, pharmaceuticals, and agrochemicals. The presence of hydroxyl and methyl groups may also influence its reactivity in further derivatization processes. Proper handling and storage are recommended due to its potential sensitivity to light and moisture.
Benzoic acid, 3-hydroxy-2,6-dimethyl-, methyl ester structure
131236-69-6 structure
Product Name:Benzoic acid, 3-hydroxy-2,6-dimethyl-, methyl ester
CAS No:131236-69-6
MF:C10H12O3
MW:180.200483322144
CID:1232053
PubChem ID:14814851
Update Time:2025-06-08

Benzoic acid, 3-hydroxy-2,6-dimethyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-hydroxy-2,6-dimethyl-, methyl ester
    • methyl 3-hydroxy-2,6-dimethylbenzoate
    • DTXSID40564333
    • SCHEMBL1584561
    • 131236-69-6
    • Inchi： 1S/C10H12O3/c1-6-4-5-8(11)7(2)9(6)10(12)13-3/h4-5,11H,1-3H3
    • InChI Key： KYPGXFQOCRNTQT-UHFFFAOYSA-N
    • SMILES： OC1=CC=C(C)C(C(=O)OC)=C1C

Computed Properties

  • Exact Mass: 180.078644241g/mol
  • Monoisotopic Mass: 180.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 191
  • 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: 2.1
  • Topological Polar Surface Area: 46.5?2

Benzoic acid, 3-hydroxy-2,6-dimethyl-, methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015013456-250mg
Methyl 2,6-dimethyl-3-hydroxybenzoate
 131236-69-6 97%
250mg
 489.60 USD 2021-06-21
Alichem
A015013456-500mg
Methyl 2,6-dimethyl-3-hydroxybenzoate
 131236-69-6 97%
500mg
 863.90 USD 2021-06-21
Alichem
A015013456-1g
Methyl 2,6-dimethyl-3-hydroxybenzoate
 131236-69-6 97%
1g
 1,534.70 USD 2021-06-21

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