Cas no 64139-21-5 (Diethyl 4-hydroxyphthalate)

Diethyl 4-hydroxyphthalate is a phthalate ester derivative characterized by the presence of a hydroxyl group at the 4-position of the phthalate ring. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty polymers. Its hydroxyl group enhances reactivity, enabling selective functionalization for tailored chemical modifications. The diethyl ester moiety improves solubility in organic solvents, facilitating its use in various reaction conditions. The compound exhibits moderate stability under standard conditions, making it suitable for controlled synthetic applications. Its structural features allow for versatility in constructing complex molecular frameworks, particularly in fine chemical and material science research.
Diethyl 4-hydroxyphthalate structure
Diethyl 4-hydroxyphthalate structure
Product Name:Diethyl 4-hydroxyphthalate
CAS No:64139-21-5
MF:C12H14O5
MW:238.236564159393
CID:507554
PubChem ID:838557
Update Time:2025-06-07

Diethyl 4-hydroxyphthalate Chemical and Physical Properties

Names and Identifiers

    • Diethyl 4-hydroxyphthalate
    • 1,2-Benzenedicarboxylicacid, 4-hydroxy-, 1,2-diethyl ester
    • diethyl 4-hydroxybenzene-1,2-dicarboxylate
    • SCHEMBL10449048
    • AKOS005216163
    • 64139-21-5
    • NS00052812
    • diethyl4-hydroxyphthalate
    • DTXSID70982642
    • Oprea1_400052
    • EINECS 264-703-6
    • 1,2-Benzenedicarboxylic acid, 4-hydroxy-, diethyl ester
    • Oprea1_584209
    • Inchi： 1S/C12H14O5/c1-3-16-11(14)9-6-5-8(13)7-10(9)12(15)17-4-2/h5-7,13H,3-4H2,1-2H3
    • InChI Key： XESMXDXQZBMELS-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C=C(C=CC=1C(=O)OCC)O)=O

Computed Properties

  • Exact Mass: 238.08412
  • Monoisotopic Mass: 238.084124
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 276
  • 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: 72.8

Experimental Properties

  • Density: 1.211
  • Boiling Point: 356.7°C at 760 mmHg
  • Flash Point: 133.5°C
  • Refractive Index: 1.532
  • PSA: 72.83

Diethyl 4-hydroxyphthalate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019150179-5g
Diethyl 4-hydroxyphthalate
 64139-21-5 95%
5g
 $392.98 2023-09-01
Crysdot LLC
CD12048440-5g
Diethyl 4-hydroxyphthalate
 64139-21-5 95+%
5g
 $491 2024-07-24

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