Cas no 72985-23-0 (6-Methylisobenzofuran-1(3H)-one)

6-Methylisobenzofuran-1(3H)-one structure
72985-23-0 structure
Product Name:6-Methylisobenzofuran-1(3H)-one
CAS No:72985-23-0
MF:C9H8O2
MW:148.158622741699
MDL:MFCD12547299
CID:551442
PubChem ID:638756
Update Time:2025-04-19

6-Methylisobenzofuran-1(3H)-one Chemical and Physical Properties

Names and Identifiers

    • 6-methyl-1(3H)-Isobenzofuranone
    • 1(3H)-Isobenzofuranone,6-methyl-
    • 6-methyl-3H-2-benzofuran-1-one
    • 4-methylphthalide
    • 5-Methylphthalide
    • 6-methyl-2-benzofuran-1(3H)-one
    • 6-methylisobenzofuran-1(3H)-one
    • 6-methylphhalide
    • 6-Methylphthalid
    • 6-Methylphthalide
    • AC1LCX0Z
    • AG-G-88032
    • CTK5D7192
    • SureCN2257538
    • 1(3H)-Isobenzofuranone,6-methyl-(9CI)
    • 1(3H)-isobenzofuranone, 6-methyl-
    • YNXGZAZFHFMWPY-UHFFFAOYSA-N
    • 1(3h)-isobenzo[b]furanone,6-methyl-
    • AK316681
    • YSZC1909
    • A914143
    • XCA98523
    • Z1255391985
    • InChI=1/C9H8O2/c1-6-2-3-7-5-11-9(10)8(7)4-6/h2-4H,5H2,1H
    • F13924
    • 6-methyl-1,3-dihydro-2-benzofuran-1-one
    • CS-0197395
    • SCHEMBL2257538
    • DS-11453
    • DTXSID00348595
    • AKOS022717687
    • EN300-5133115
    • FT-0745981
    • 72985-23-0
    • DA-36046
    • 6-Methylisobenzofuran-1(3H)-one
    • MDL: MFCD12547299
    • Inchi: 1S/C9H8O2/c1-6-2-3-7-5-11-9(10)8(7)4-6/h2-4H,5H2,1H3
    • InChI Key: YNXGZAZFHFMWPY-UHFFFAOYSA-N
    • SMILES: O1C(C2C=C(C)C=CC=2C1)=O

Computed Properties

  • Exact Mass: 148.05244
  • Monoisotopic Mass: 148.052429494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 176
  • 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: 1.2
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.211±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 88 oC
  • Boiling Point: 332.5°C at 760 mmHg
  • Solubility: Slightly soluble (1.2 g/l) (25 o C),
  • PSA: 26.3

6-Methylisobenzofuran-1(3H)-one Security Information

  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P280-P305+P351+P338
  • Storage Condition:Sealed in dry,Room Temperature

6-Methylisobenzofuran-1(3H)-one Pricemore >>

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