Cas no 53488-80-5 (3-ACETYL-2-HYDROXY-6-METHYL-PYRAN-4-ONE)

3-ACETYL-2-HYDROXY-6-METHYL-PYRAN-4-ONE structure
53488-80-5 structure
Product Name:3-ACETYL-2-HYDROXY-6-METHYL-PYRAN-4-ONE
CAS No:53488-80-5
MF:C8H8O4
MW:168.146722793579
CID:938633
PubChem ID:54678494
Update Time:2025-04-19

3-ACETYL-2-HYDROXY-6-METHYL-PYRAN-4-ONE Chemical and Physical Properties

Names and Identifiers

    • 3-ACETYL-2-HYDROXY-6-METHYL-PYRAN-4-ONE
    • 2KAG279R6R
    • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione. enol form
    • STL146176
    • Caswell No. 278
    • 3-acetyl-6-methylpyran-2,4(3h)-dione
    • 4H-Pyran-4-one, 3-acetyl-2-hydroxy-6-methyl-
    • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-),
    • SCHEMBL14447243
    • Z104500152
    • 3-acetyl-4-hydroxy-6-methylpyran-2-one
    • BDBM50012423
    • EPA Pesticide Chemical Code 027801
    • NCGC00246194-01
    • HSDB 291
    • STK801879
    • DHA (VAN)
    • AKOS000120795
    • AI3-01464
    • Q920725
    • dehydroacetic-acid
    • 3-acetyl-6-methyl-3,4-dihydro-2H-2,4-pyrandione
    • DEHYDROACETIC ACID [MART.]
    • DB-365912
    • (3E)-3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione
    • BRN 0006129
    • 53488-80-5
    • DEHYDROACETIC ACID [HSDB]
    • 2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-
    • CHEMBL1724669
    • DTXSID70874033
    • 4-17-00-06699 (Beilstein Handbook Reference)
    • Dehydroacetic enol form
    • HMS2267L15
    • NS00079672
    • 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one
    • MLS001049074
    • AKOS003406223
    • DTXSID60892342
    • SCHEMBL17788
    • Dehydroacetic Acid [USAN]
    • 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one #
    • 4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, delta-lactone
    • DEHYDROACETIC ACID [II]
    • 3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione
    • 771-03-9
    • 3-Acetyl-4-hydroxy-6-methyl-pyran-2-one
    • CS-0371456
    • DEHYDROACETIC ACID [USP-RS]
    • UNII-2KAG279R6R
    • EINECS 208-293-9
    • Dehydroacetic acid;2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid delta-lactone; DHA
    • EINECS 212-227-4
    • DEHYDROACETIC ACID [MI]
    • 3-acetyl-2-hydroxy-6-methyl-4H-pyran-4-one
    • 45990-86-1
    • SCHEMBL1308058
    • DEHYDROACETIC ACID [FCC]
    • NSC 139150
    • 3-acetyl-6-methyl-4-hydroxy-2-pyrone
    • 3-Acetyl-6-methyl-4-hydroxypyran-2-one
    • 3-acetyl-4-hydroxy-6-methyl-2H -pyran-2-one
    • Kyselina dehydroacetova [Czech]
    • 2-Hydroxy-3-acetyl-6-methyl-4-pyrone
    • AKOS004119848
    • SMR000386912
    • 2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone
    • DTXSID801015814
    • NSC-139150
    • DTXSID20892343
    • CHEMBL3306255
    • Inchi： 1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3
    • InChI Key： PKLPQOJFHFGVBS-UHFFFAOYSA-N
    • SMILES： O1C(C(C(C)=O)=C(C=C1C)O)=O

Computed Properties

  • Exact Mass: 168.04200
  • Monoisotopic Mass: 168.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 309
  • 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: 1
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • PSA: 67.51000
  • LogP: 0.85640

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