Cas no 10468-59-4 (1(2H)-Naphthalenone,3,4-dihydro-2,5,8-trimethyl-)

1(2H)-Naphthalenone,3,4-dihydro-2,5,8-trimethyl- structure
10468-59-4 structure
Product Name:1(2H)-Naphthalenone,3,4-dihydro-2,5,8-trimethyl-
CAS No:10468-59-4
MF:C13H16O
MW:188.265543937683
CID:147682
PubChem ID:255177
Update Time:2025-04-19

1(2H)-Naphthalenone,3,4-dihydro-2,5,8-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1(2H)-Naphthalenone,3,4-dihydro-2,5,8-trimethyl-
    • 2,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
    • 3,4-Dihydro-2,5,8-trimethyl-1(2H)-naphthalenone
    • 2,5,8-Trimethyl-1-tetralon
    • 2,5,8-Trimethyl-1-tetralone
    • 2,5,8-trimethyl-3,4-dihydro-1(2H)-naphthalenone
    • 2,8-Trimethyl-1-tetralone
    • 3,4-Dihydro-2,5,8-trimethyl-1(2H)-naphthalenon
    • AC1L5RUK
    • AC1Q6J94
    • AR-1D3959
    • CTK4A3227
    • NSC80434
    • 3,5,8-trimethyl-1(2H)naphthalenone
    • 10468-59-4
    • DTXSID90292134
    • PKGVLPASJKWUPK-UHFFFAOYSA-N
    • 2,8-Trimethyl-3,4-dihydro-1(2H)-naphthalenone
    • 1(2H)-Naphthalenone,4-dihydro-2,5,8-trimethyl-
    • 1(2H)-Naphthalenone, 3,4-dihydro-2,5,8-trimethyl-
    • 3,4-Dihydro-2,5,8-trimethyl-1(2H)naphthalenone
    • NSC-80434
    • Inchi： 1S/C13H16O/c1-8-4-5-9(2)12-11(8)7-6-10(3)13(12)14/h4-5,10H,6-7H2,1-3H3
    • InChI Key： PKGVLPASJKWUPK-UHFFFAOYSA-N
    • SMILES： O=C1C2C(C)=CC=C(C)C=2CCC1C

Computed Properties

  • Exact Mass: 188.12018
  • Monoisotopic Mass: 188.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 233
  • 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
  • XLogP3: 3.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.016
  • Boiling Point: 319.1°C at 760 mmHg
  • Flash Point: 136.2°C
  • Refractive Index: 1.533
  • PSA: 17.07
  • LogP: 3.06840

1(2H)-Naphthalenone,3,4-dihydro-2,5,8-trimethyl- Related Literature

  • 1. Enolization in radical cations of o-methylacetophenone and related species under cryogenic conditions
    Andrzej Marcinek,Jacek Michalak,Jacek Rogowski,Weilin Tang,Thomas Bally,Jerzy Gebicki J. Chem. Soc. Perkin Trans. 2 1992 1353

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