Cas no 17627-43-9 (5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene-)

5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene- structure
17627-43-9 structure
Product Name:5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene-
CAS No:17627-43-9
MF:C15H24O
MW:220.350464820862
CID:189725
PubChem ID:14350
Update Time:2025-04-19

5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene- Chemical and Physical Properties

Names and Identifiers

    • 5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene-
    • 4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane
    • 4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane
    • 5-Oxatricyclo(8.2.0.04,6)dodecane, 4,12,12-trimethyl-9-methylene-
    • Einecs 241-609-3
    • .beta.-Caryophyllene epoxide
    • (10S,1R,4R,6R)-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0<4,6>]dodeca ne
    • NS00101167
    • SY011401
    • 13877-94-6
    • Caryophyllene a-oxide
    • 4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0~4,6~]dodecane
    • AKOS024282622
    • 4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
    • Caryophyllene epoxide
    • 5-Oxatricyclo[8.2.0.0(4,6)-]dodecane, 4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]-
    • 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-
    • SCHEMBL1532444
    • NVEQFIOZRFFVFW-UHFFFAOYSA-N
    • 17627-43-9
    • 4,12,12-TRIMETHYL-9-METHYLIDENE-5-OXATRICYCLO[8.2.0.0?,?]DODECANE
    • Caryophyllene oxyde
    • Caryophylene oxide
    • EINECS 237-642-8
    • VS-12369
    • FT-0623501
    • 4,5-epoxy-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecane
    • 4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)-
    • Isocaryophyllene, oxide
    • (-)-5-Oxatricyclo[8.2.0.0(4,6)]dodecane,4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]-
    • DTXSID50859585
    • CHEBI:156179
    • 4,5-Epoxy-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undecane
    • NS00012081
    • Q67879768
    • (-)-.beta.-Caryophyllene oxide
    • Caryophyllene alpha-oxide
    • 4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane
    • Inchi: 1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3
    • InChI Key: NVEQFIOZRFFVFW-UHFFFAOYSA-N
    • SMILES: O1C2CCC(=C)C3CC(C)(C)C3CCC12C

Computed Properties

  • Exact Mass: 220.18282
  • Monoisotopic Mass: 220.182715
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 330
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12.5
  • XLogP3: 3.6

Experimental Properties

  • Density: 0.98
  • Boiling Point: 279.7°Cat760mmHg
  • Flash Point: 119.7°C
  • PSA: 12.53
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