Cas no 58805-52-0 (Ethanone,1,1'-(4,6-dihydroxy-5-propyl-1,3-phenylene)bis- (9CI))

Ethanone,1,1'-(4,6-dihydroxy-5-propyl-1,3-phenylene)bis- (9CI) structure
58805-52-0 structure
Product Name:Ethanone,1,1'-(4,6-dihydroxy-5-propyl-1,3-phenylene)bis- (9CI)
CAS No:58805-52-0
MF:C13H16O4
MW:236.263744354248
CID:366283
PubChem ID:2775184
Update Time:2025-04-19

Ethanone,1,1'-(4,6-dihydroxy-5-propyl-1,3-phenylene)bis- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1,1'-(4,6-dihydroxy-5-propyl-1,3-phenylene)bis- (9CI)
    • 1-(5-ACETYL-2,4-DIHYDROXY-3-PROPYLPHENYL)ETHAN-1-ONE
    • 1-(5-acetyl-2,4-dihydroxy-3-propylphenyl)ethanone
    • 4,6-Diacetyl-2-propylresorcinol
    • FT-0605785
    • 1,1'-(4,6-dihydroxy-5-propyl-1,3-phenylene)bis-ethanone
    • 1,1'-(4,6-Dihydroxy-5-propyl-1,3-phenylene)diethanone
    • 1,1'-(4,6-Dihydroxy-5-propyl-1,3-phenylene)bis(ethan-1-one)
    • DTXSID90379439
    • 1,1'-(4,6-Dihydroxy-5-propyl-1,3-phenylene)di(ethan-1-one)
    • SCHEMBL10687608
    • 58805-52-0
    • A832027
    • Inchi： 1S/C13H16O4/c1-4-5-9-12(16)10(7(2)14)6-11(8(3)15)13(9)17/h6,16-17H,4-5H2,1-3H3
    • InChI Key： CDZGGLGTYSVPPX-UHFFFAOYSA-N
    • SMILES： OC1C(C(C)=O)=CC(C(C)=O)=C(C=1CCC)O

Computed Properties

  • Exact Mass: 236.10500
  • Monoisotopic Mass: 236.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 274
  • 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: 3
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.60000
  • LogP: 2.45550

Ethanone,1,1'-(4,6-dihydroxy-5-propyl-1,3-phenylene)bis- (9CI) Security Information

  • Safety Instruction： S26-S37/39
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38
  • Safety Term：S26;S37/39

Ethanone,1,1'-(4,6-dihydroxy-5-propyl-1,3-phenylene)bis- (9CI) Related Literature

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