(9R)-16,17-Dimethoxytricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol

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  • Identifiers

    CAS number
    33606-81-4

    Molecular formula
    C21H26O5

    SMILES
    COC1=C2C=C(CCCC[C@H](CCC3=CC2=C(C=C3)O)O)C(=C1OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 67.73%
    Sweet 59.91%
    Vanilla 57.94%
    Spicy 52.62%
    Smoky 46.36%
    Balsamic 42.2%
    Powdery 36.24%
    Creamy 33.27%
    Medicinal 32.61%
    Woody 32.21%

     

    Flavor
    Bitter 63.41%
    Sweet 42.85%
    Phenolic 31.7%
    Spicy 31.56%
    Smoky 30.85%
    Vanilla 30.49%
    Woody 29.86%
    Powdery 28.72%
    Spice 27.52%
    Medicinal 25.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    10.69 (weak base)

    Molecular weight
    358.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    808°C

    Flash point

    • 233.65 ˚C est.

  • Synonyms

    • Myricanol
    • 33606-81-4
    • (9R)-16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol
    • (9R)-16,17-dimethoxytricyclo(12.3.1.12,6)nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol
    • RefChem:906313
    • (9R)-16,17-Dimethoxytricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol
    • (+/-)-Myricanol
    • Tricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-, (9R)-
    • SCHEMBL433314
    • CHEMBL2152654
    • DTXSID10955239
    • HY-N3225
    • AKOS028109460
    • FS-9765
    • DA-65733
    • FM137865
    • (R)-15,16-Dimethoxy-1,2(1,3)-dibenzenacyclononaphane-14,26,5-triol
    • (5R)-1~5~,1~6~-Dimethoxy-1,2(1,3)-dibenzenacyclononaphane-1~4~,2~6~,5-triol
    • 16,17-Dimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,15-triol
    • Tricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-, (R)-
    • 33606-81-4

  • Applications

    Primarily used as an organic synthesis intermediate for constructing complex polycyclic frameworks; it may also serve in fragrance applications as a fragrance ingredient or fixative; it could be evaluated for cosmetic and personal-care formulations as a specialty aroma component; in coatings and inks, it can function as a niche additive or performance modifier; in the plastics and polymer sector, it may act as a building block for functional materials; and in pharmaceutical or agrochemical research, it can be considered as a chiral building block for synthesis, subject to formulation limits and local regulations. Chemical name: (9R)-16,17-Dimethoxytricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol; CAS number: 33606-81-4

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 58.07
    methanol 68.61
    isopropanol 33.83
    water 0.2
    ethyl acetate 53.59
    n-propanol 48.33
    acetone 108.46
    n-butanol 37.05
    acetonitrile 22.45
    DMF 118.02
    toluene 11.44
    isobutanol 25.52
    1,4-dioxane 76.14
    methyl acetate 48.01
    THF 141.61
    2-butanone 53.38
    n-pentanol 24.2
    sec-butanol 23.07
    n-hexane 0.7
    ethylene glycol 32.67
    NMP 82.72
    cyclohexane 2.12
    DMSO 276.92
    n-butyl acetate 31.19
    n-octanol 15.0
    chloroform 68.26
    n-propyl acetate 28.99
    acetic acid 158.38
    dichloromethane 62.72
    cyclohexanone 94.92
    propylene glycol 39.28
    isopropyl acetate 40.61
    DMAc 138.16
    2-ethoxyethanol 82.11
    isopentanol 32.5
    n-heptane 0.98
    ethyl formate 37.95
    1,2-dichloroethane 64.9
    n-hexanol 26.93
    2-methoxyethanol 154.08
    isobutyl acetate 23.27
    tetrachloromethane 9.64
    n-pentyl acetate 32.52
    transcutol 183.83
    n-heptanol 23.01
    ethylbenzene 8.82
    MIBK 35.25
    2-propoxyethanol 82.86
    tert-butanol 46.25
    MTBE 24.23
    2-butoxyethanol 63.32
    propionic acid 56.98
    o-xylene 10.73
    formic acid 68.24
    diethyl ether 25.61
    m-xylene 11.3
    p-xylene 10.48
    chlorobenzene 22.12
    dimethyl carbonate 52.08
    n-octane 1.0
    formamide 111.91
    cyclopentanone 116.98
    2-pentanone 48.27
    anisole 22.85
    cyclopentyl methyl ether 36.62
    gamma-butyrolactone 116.06
    1-methoxy-2-propanol 96.31
    pyridine 58.38
    3-pentanone 33.36
    furfural 100.73
    n-dodecane 1.06
    diethylene glycol 102.03
    diisopropyl ether 8.59
    tert-amyl alcohol 30.74
    acetylacetone 94.03
    n-hexadecane 1.18
    acetophenone 35.23
    methyl propionate 47.37
    isopentyl acetate 33.68
    trichloroethylene 112.14
    n-nonanol 16.61
    cyclohexanol 32.97
    benzyl alcohol 36.27
    2-ethylhexanol 16.0
    isooctanol 19.96
    dipropyl ether 14.05
    1,2-dichlorobenzene 25.2
    ethyl lactate 35.7
    propylene carbonate 63.77
    n-methylformamide 72.58
    2-pentanol 19.55
    n-pentane 0.84
    1-propoxy-2-propanol 48.16
    1-methoxy-2-propyl acetate 55.28
    2-(2-methoxypropoxy) propanol 50.77
    mesitylene 7.94
    ε-caprolactone 74.19
    p-cymene 8.89
    epichlorohydrin 124.48
    1,1,1-trichloroethane 34.29
    2-aminoethanol 52.8
    morpholine-4-carbaldehyde 110.62
    sulfolane 176.83
    2,2,4-trimethylpentane 1.15
    2-methyltetrahydrofuran 45.45
    n-hexyl acetate 31.49
    isooctane 0.87
    2-(2-butoxyethoxy)ethanol 73.25
    sec-butyl acetate 22.37
    tert-butyl acetate 47.25
    decalin 1.8
    glycerin 86.34
    diglyme 124.66
    acrylic acid 69.18
    isopropyl myristate 14.74
    n-butyric acid 74.46
    acetyl acetate 55.94
    di(2-ethylhexyl) phthalate 21.02
    ethyl propionate 24.78
    nitromethane 181.09
    1,2-diethoxyethane 41.28
    benzonitrile 29.65
    trioctyl phosphate 17.29
    1-bromopropane 17.53
    gamma-valerolactone 161.83
    n-decanol 12.77
    triethyl phosphate 21.41
    4-methyl-2-pentanol 16.55
    propionitrile 22.51
    vinylene carbonate 62.63
    1,1,2-trichlorotrifluoroethane 158.19
    DMS 43.18
    cumene 7.48
    2-octanol 13.45
    2-hexanone 29.42
    octyl acetate 19.01
    limonene 10.82
    1,2-dimethoxyethane 85.35
    ethyl orthosilicate 20.57
    tributyl phosphate 18.17
    diacetone alcohol 71.01
    N,N-dimethylaniline 18.72
    acrylonitrile 40.49
    aniline 32.69
    1,3-propanediol 83.31
    bromobenzene 18.05
    dibromomethane 34.84
    1,1,2,2-tetrachloroethane 89.96
    2-methyl-cyclohexyl acetate 26.83
    tetrabutyl urea 23.64
    diisobutyl methanol 12.35
    2-phenylethanol 36.96
    styrene 9.69
    dioctyl adipate 25.89
    dimethyl sulfate 84.37
    ethyl butyrate 23.22
    methyl lactate 62.48
    butyl lactate 37.17
    diethyl carbonate 21.59
    propanediol butyl ether 51.03
    triethyl orthoformate 22.91
    p-tert-butyltoluene 8.79
    methyl 4-tert-butylbenzoate 42.94
    morpholine 88.54
    tert-butylamine 17.43
    n-dodecanol 9.77
    dimethoxymethane 107.46
    ethylene carbonate 56.8
    cyrene 61.03
    2-ethoxyethyl acetate 58.57
    2-ethylhexyl acetate 24.01
    1,2,4-trichlorobenzene 32.93
    4-methylpyridine 36.91
    dibutyl ether 12.89
    2,6-dimethyl-4-heptanol 12.35
    DEF 51.34
    dimethyl isosorbide 75.42
    tetrachloroethylene 61.67
    eugenol 45.76
    triacetin 45.64
    span 80 44.13
    1,4-butanediol 30.2
    1,1-dichloroethane 33.78
    2-methyl-1-pentanol 24.78
    methyl formate 64.29
    2-methyl-1-butanol 26.15
    n-decane 1.58
    butyronitrile 19.53
    3,7-dimethyl-1-octanol 15.53
    1-chlorooctane 7.54
    1-chlorotetradecane 3.69
    n-nonane 1.23
    undecane 1.26
    tert-butylcyclohexane 1.47
    cyclooctane 0.9
    cyclopentanol 31.86
    tetrahydropyran 48.63
    tert-amyl methyl ether 18.86
    2,5,8-trioxanonane 89.53
    1-hexene 3.81
    2-isopropoxyethanol 53.16
    2,2,2-trifluoroethanol 64.15
    methyl butyrate 32.2

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction