Cas no 70124-98-0 (2-(4-hydroxyphenyl)-3-methylbutanoic acid)

2-(4-hydroxyphenyl)-3-methylbutanoic acid structure
70124-98-0 structure
Product Name:2-(4-hydroxyphenyl)-3-methylbutanoic acid
CAS No:70124-98-0
MF:C11H14O3
MW:194.227063655853
CID:569719
PubChem ID:112192
Update Time:2025-04-19

2-(4-hydroxyphenyl)-3-methylbutanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(P-HYDROXYPHENYL)ISOVALERIC ACID
    • 2-(4-HYDROXYPHENYL)-3-METHYLBUTYRIC ACID
    • PHPIA
    • 2-(p-Hydroxyphenyl)-3-methylbutanoic acid
    • 2-(4-Hydroxyphenyl)Isovaleric Acid
    • 2-(4-hydroxyphenyl)-3-methylbutanoic acid
    • Benzeneacetic acid,4-hydroxy-a-(1-methylethyl)-
    • EINECS 274-323-2
    • S821
    • AKOS006271612
    • alpha-isopropyl-4-hydroxyphenylacetic acid
    • EN300-1865722
    • SCHEMBL68895
    • NS00061340
    • Q27119832
    • 2-(P-HYDROXYPHENYL)ISOVALERICACID
    • GDBITPXOESTAML-UHFFFAOYSA-N
    • 2-(4-hydroxyphenyl)-3-methylbutanoicacid
    • alpha-isopropyl 4-hydroxyphenylacetic acid
    • DTXSID00990356
    • CHEBI:39359
    • 70124-98-0
    • Inchi: 1S/C11H14O3/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10,12H,1-2H3,(H,13,14)
    • InChI Key: GDBITPXOESTAML-UHFFFAOYSA-N
    • SMILES: OC(C(C1C=CC(=CC=1)O)C(C)C)=O

Computed Properties

  • Exact Mass: 194.09400
  • Monoisotopic Mass: 194.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.4
  • Topological Polar Surface Area: 57.5A^2

Experimental Properties

  • Color/Form: White needle like crystals.
  • Density: 1.17
  • Boiling Point: 342.8°C at 760 mmHg
  • Flash Point: 175.3°C
  • Refractive Index: 1.553
  • PSA: 57.53000
  • LogP: 2.21640
  • Solubility: Slightly soluble in water.

2-(4-hydroxyphenyl)-3-methylbutanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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