2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-

  • Identifiers

    CAS number
    5956-09-2

    Molecular formula
    C15H26O

    SMILES
    C[C@@H]1CCC[C@@]2([C@]13C[C@@H](CC2)C(O3)(C)C)C

    Retention indicies (RI)

    • Carbowax: 1698.0

  • Odor profile

    green 66.95%
    woody 66.53%
    herbal 51.41%
    fresh 48.88%
    earthy 48.36%
    spicy 44.02%
    camphoreous 43.47%
    mint 40.33%
    pine 39.93%
    dry 37.73%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9 Well soluble in BB, DEP, IAA

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

  • Synonyms

    • Dihydro-beta-agarofuran
    • Deoxybaimuxinol
    • Dihydroagarofuran
    • trans-Dihydroagarofuran
    • beta-Agarofuran, dihydro-
    • 5956-09-2
    • 2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-
    • Octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin
    • (1S,2R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane
    • (3R,5aS,9R,9aS)-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine
    • SCHEMBL2400604
    • CHEBI:71547
    • Q27139701
1 4

Botanical

Name CAS Botanical Proportion
Amyris 1 8015-65-4 Amyris balsamifera L., fam. Rutaceae 0%
Pelargonium reniforme Pelargonium reniforme Curt., fam. Geraniaceae 0%
Prostanthera staurophylla Prostanthera staurophylla F. Muell., fam. Lamiaceae (Labiatae) 0%
Vetiver (Haiti) 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 0%
Celery seed (India) 5 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0%
Eucalyptus resinifera (Cuba) Eucalyptus resinifera Smith, fam. Myrtaceae 0%
Corymbia maculata (Cuba) Corymbia maculata (Hook.) K.D. Hill & L.A.S. Johnson, fam. Myrtaceae 0%