Cas no 1354638-93-9 (Araliadiol)

Araliadiol structure
Araliadiol structure
Product Name:Araliadiol
CAS No:1354638-93-9
MF:C15H20O2
MW:232.318104743958
CID:1080733
PubChem ID:124355647
Update Time:2025-07-11

Araliadiol Chemical and Physical Properties

Names and Identifiers

    • Araliadiol
    • DA-50667
    • (3S,8R,9Z)-pentadeca-1,9-dien-4,6-diyne-3,8-diol
    • CS-0023470
    • HY-N2887
    • 1354638-93-9
    • AKOS040740702
    • Inchi: 1S/C15H20O2/c1-3-5-6-7-8-12-15(17)13-10-9-11-14(16)4-2/h4,8,12,14-17H,2-3,5-7H2,1H3/b12-8-/t14-,15+/m0/s1
    • InChI Key: KZRIUXSFFOWKRO-USJBSMOHSA-N
    • SMILES: O[C@@H](C#CC#C[C@H](C=C)O)/C=C\CCCCC

Computed Properties

  • Exact Mass: 232.14600
  • Monoisotopic Mass: 232.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 367
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.022±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 381.2±42.0 °C at 760 mmHg
  • Flash Point: 176.1±22.5 °C
  • Solubility: Insuluble (6.3E-3 g/L) (25 oC),
  • PSA: 40.46000
  • LogP: 2.03750
  • Vapor Pressure: 0.0±2.0 mmHg at 25°C

Araliadiol Security Information

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