Cas no 457653-86-0 (6,11-Dimethyl-2,6,10-dodecatrien-1-ol)

6,11-Dimethyl-2,6,10-dodecatrien-1-ol structure
457653-86-0 structure
Product Name:6,11-Dimethyl-2,6,10-dodecatrien-1-ol
CAS No:457653-86-0
MF:C14H24O
MW:208.339764595032
CID:5667650
PubChem ID:549641
Update Time:2024-03-01

6,11-Dimethyl-2,6,10-dodecatrien-1-ol Chemical and Physical Properties

Names and Identifiers

    • 6,11-Dimethyl-2,6,10-dodecatrien-1-ol
    • DTXSID101016116
    • 457653-86-0
    • 2,6,10-Dodecatrien-1-ol, 6,11-dimethyl-
    • Inchi: 1S/C14H24O/c1-13(2)9-6-7-11-14(3)10-5-4-8-12-15/h4,8-9,11,15H,5-7,10,12H2,1-3H3
    • InChI Key: BVLIMWXCOVQDNN-UHFFFAOYSA-N
    • SMILES: OCC=CCCC(C)=CCC/C=C(\C)/C

Computed Properties

  • Exact Mass: 208.182715385g/mol
  • Monoisotopic Mass: 208.182715385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 230
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 4.1
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 0.876±0.06 g/cm3(Predicted)
  • Boiling Point: 302.0±11.0 °C(Predicted)
  • pka: 14.67±0.10(Predicted)

6,11-Dimethyl-2,6,10-dodecatrien-1-ol Production Method

Production Method 1

Reaction Conditions
1.1C:12173-10-3, 3 h, 140°C
Reference
Clinoptilolite as a natural, active zeolite catalyst for the chemical transformations of geraniol
By Fajdek-Bieda, Anna et al, Reaction Kinetics, 2021, 133(2), 997-1011

6,11-Dimethyl-2,6,10-dodecatrien-1-ol Raw materials

6,11-Dimethyl-2,6,10-dodecatrien-1-ol Preparation Products

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