Cas no 136778-40-0 (Goniodiol diacetate)

Goniodiol diacetate structure
Goniodiol diacetate structure
Product Name:Goniodiol diacetate
CAS No:136778-40-0
MF:C17H18O6
MW:318.321225643158
CID:1080817
PubChem ID:11012583
Update Time:2025-08-01

Goniodiol diacetate Chemical and Physical Properties

Names and Identifiers

    • Goniodiol diacetate
    • 7,8-di-O-acetyl-goniodiol
    • (+)-goniodiol diacetate
    • (+)-goniodiol-diacetate
    • [ "" ]
    • 136778-40-0
    • AKOS040735931
    • [(1S,2R)-2-Acetyloxy-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-2-phenylethyl] acetate
    • FS-8635
    • Inchi: 1S/C17H18O6/c1-11(18)21-16(13-7-4-3-5-8-13)17(22-12(2)19)14-9-6-10-15(20)23-14/h3-8,10,14,16-17H,9H2,1-2H3/t14-,16-,17+/m1/s1
    • InChI Key: JJGQHRYXJBODPH-OIISXLGYSA-N
    • SMILES: O1C(C=CC[C@@H]1[C@@H]([C@@H](C1C=CC=CC=1)OC(C)=O)OC(C)=O)=O

Computed Properties

  • Exact Mass: 318.11000
  • Monoisotopic Mass: 318.11033829g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 7
  • Complexity: 478
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.797
  • Topological Polar Surface Area: 78.9?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 386.4±12.0 °C at 760 mmHg
  • Flash Point: 167.5±19.6 °C
  • PSA: 78.90000
  • LogP: 2.09420
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Goniodiol diacetate Security Information

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