3,15-Dihydroxy-16,17-dimethoxytricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one

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  • Identifiers

    CAS number
    32492-74-3

    Molecular formula
    C21H24O5

    SMILES
    COC1=C2C=C(CCCCC(=O)CCC3=CC2=C(C=C3)O)C(=C1OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 63.18%
    Spicy 55.73%
    Sweet 55.37%
    Vanilla 50.65%
    Smoky 42.43%
    Woody 39.51%
    Balsamic 38.25%
    Powdery 36.65%
    Creamy 31.22%
    Medicinal 30.08%

     

    Flavor
    Bitter 62.44%
    Sweet 41.21%
    Woody 30.45%
    Vanilla 30.06%
    Spicy 29.25%
    Spice 28.1%
    Smoky 27.74%
    Powdery 27.61%
    Phenolic 27.29%
    Coconut 24.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    10.66 (weak base)

    Molecular weight
    356.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    733°C

    Melting point expt.

    • 194 - 196 °C

    Flash point

    • 224.48 ˚C est.

  • Synonyms

    • Myricanone
    • 32492-74-3
    • 3,15-dihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
    • CHEBI:141540
    • DTXSID60186218
    • 3,15-Dihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one
    • 3,15-dihydroxy-16,17-dimethoxytricyclo(12.3.1.1^(2,6))nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one
    • 3,15-dihydroxy-16,17-dimethoxytricyclo(12.3.1.12,6)nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
    • 3,15-Dihydroxy-16,17-dimethoxytricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one
    • 3,15-dihydroxy-16,17-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one
    • RefChem:910505
    • DTXCID70108709
    • SCHEMBL432252
    • orb1682062
    • CHEMBL2152655
    • SCHEMBL29904784
    • HBA49274
    • HY-N3223
    • AKOS032948800
    • FS-9754
    • Tricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one, 3,15-dihydroxy-16,17-dimethoxy-
    • Q15634107
    • 14,26-Dihydroxy-15,16-dimethoxy-1,2(1,3)-dibenzenacyclononaphan-5-one
    • 1~4~,2~6~-Dihydroxy-1~5~,1~6~-dimethoxy-1,2(1,3)-dibenzenacyclononaphan-5-one
    • 3,15-dihydroxy-16,17-dimethoxytricyclo[12.3.1.1^{2,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
    • 32492-74-3

  • Applications

    3,15-Dihydroxy-16,17-dimethoxytricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one (CAS 32492-74-3) is commonly evaluated for real-world applications as a chemical intermediate and fragrance-related compound across several industries: as a fragrance/odorant ingredient or aroma intermediate in perfumery and cosmetics; as a synthetic intermediate in pharmaceutical development and other specialty chemicals; as an odorant additive or scent component in cleaning and household products; and as a building block or functional intermediate for specialty polymers, coatings, or inks. Its use would be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.95
    methanol 17.86
    isopropanol 11.8
    water 0.05
    ethyl acetate 30.46
    n-propanol 15.67
    acetone 58.01
    n-butanol 13.33
    acetonitrile 14.14
    DMF 58.8
    toluene 11.1
    isobutanol 10.19
    1,4-dioxane 48.3
    methyl acetate 31.44
    THF 84.43
    2-butanone 36.29
    n-pentanol 12.11
    sec-butanol 9.02
    n-hexane 0.35
    ethylene glycol 8.68
    NMP 49.81
    cyclohexane 1.07
    DMSO 111.83
    n-butyl acetate 23.52
    n-octanol 8.76
    chloroform 61.76
    n-propyl acetate 23.08
    acetic acid 73.26
    dichloromethane 58.54
    cyclohexanone 66.9
    propylene glycol 10.03
    isopropyl acetate 26.27
    DMAc 91.51
    2-ethoxyethanol 41.05
    isopentanol 15.56
    n-heptane 0.48
    ethyl formate 22.29
    1,2-dichloroethane 48.74
    n-hexanol 14.34
    2-methoxyethanol 57.85
    isobutyl acetate 18.49
    tetrachloromethane 6.7
    n-pentyl acetate 26.1
    transcutol 102.56
    n-heptanol 13.99
    ethylbenzene 8.24
    MIBK 22.88
    2-propoxyethanol 47.08
    tert-butanol 20.43
    MTBE 11.89
    2-butoxyethanol 39.02
    propionic acid 29.43
    o-xylene 9.22
    formic acid 27.33
    diethyl ether 13.73
    m-xylene 8.66
    p-xylene 10.09
    chlorobenzene 19.79
    dimethyl carbonate 35.7
    n-octane 0.54
    formamide 46.28
    cyclopentanone 78.11
    2-pentanone 28.55
    anisole 19.24
    cyclopentyl methyl ether 20.27
    gamma-butyrolactone 80.38
    1-methoxy-2-propanol 40.68
    pyridine 48.61
    3-pentanone 24.05
    furfural 76.53
    n-dodecane 0.66
    diethylene glycol 49.49
    diisopropyl ether 4.8
    tert-amyl alcohol 13.47
    acetylacetone 62.18
    n-hexadecane 0.77
    acetophenone 31.82
    methyl propionate 29.01
    isopentyl acetate 25.15
    trichloroethylene 96.37
    n-nonanol 10.63
    cyclohexanol 15.02
    benzyl alcohol 27.21
    2-ethylhexanol 10.8
    isooctanol 12.87
    dipropyl ether 9.78
    1,2-dichlorobenzene 23.28
    ethyl lactate 23.12
    propylene carbonate 43.23
    n-methylformamide 30.04
    2-pentanol 8.22
    n-pentane 0.34
    1-propoxy-2-propanol 29.78
    1-methoxy-2-propyl acetate 40.72
    2-(2-methoxypropoxy) propanol 36.27
    mesitylene 5.51
    ε-caprolactone 49.84
    p-cymene 7.32
    epichlorohydrin 87.53
    1,1,1-trichloroethane 28.45
    2-aminoethanol 14.25
    morpholine-4-carbaldehyde 70.93
    sulfolane 107.36
    2,2,4-trimethylpentane 0.6
    2-methyltetrahydrofuran 25.79
    n-hexyl acetate 24.57
    isooctane 0.41
    2-(2-butoxyethoxy)ethanol 46.19
    sec-butyl acetate 17.66
    tert-butyl acetate 30.55
    decalin 1.17
    glycerin 27.71
    diglyme 84.99
    acrylic acid 40.0
    isopropyl myristate 11.58
    n-butyric acid 34.57
    acetyl acetate 42.17
    di(2-ethylhexyl) phthalate 16.95
    ethyl propionate 19.58
    nitromethane 98.7
    1,2-diethoxyethane 29.35
    benzonitrile 25.04
    trioctyl phosphate 12.8
    1-bromopropane 11.84
    gamma-valerolactone 102.74
    n-decanol 8.13
    triethyl phosphate 17.53
    4-methyl-2-pentanol 8.22
    propionitrile 16.0
    vinylene carbonate 45.32
    1,1,2-trichlorotrifluoroethane 99.2
    DMS 35.66
    cumene 6.11
    2-octanol 8.52
    2-hexanone 23.27
    octyl acetate 14.88
    limonene 8.5
    1,2-dimethoxyethane 56.17
    ethyl orthosilicate 16.07
    tributyl phosphate 14.39
    diacetone alcohol 41.65
    N,N-dimethylaniline 14.98
    acrylonitrile 28.34
    aniline 21.6
    1,3-propanediol 27.44
    bromobenzene 17.43
    dibromomethane 31.36
    1,1,2,2-tetrachloroethane 70.18
    2-methyl-cyclohexyl acetate 22.47
    tetrabutyl urea 19.21
    diisobutyl methanol 8.03
    2-phenylethanol 28.41
    styrene 9.46
    dioctyl adipate 20.59
    dimethyl sulfate 55.32
    ethyl butyrate 19.12
    methyl lactate 32.74
    butyl lactate 25.29
    diethyl carbonate 17.53
    propanediol butyl ether 27.19
    triethyl orthoformate 18.42
    p-tert-butyltoluene 6.71
    methyl 4-tert-butylbenzoate 34.07
    morpholine 47.37
    tert-butylamine 7.78
    n-dodecanol 6.16
    dimethoxymethane 56.3
    ethylene carbonate 39.31
    cyrene 43.56
    2-ethoxyethyl acetate 44.05
    2-ethylhexyl acetate 19.23
    1,2,4-trichlorobenzene 29.35
    4-methylpyridine 28.95
    dibutyl ether 9.85
    2,6-dimethyl-4-heptanol 8.03
    DEF 31.86
    dimethyl isosorbide 57.93
    tetrachloroethylene 48.98
    eugenol 36.39
    triacetin 35.29
    span 80 28.54
    1,4-butanediol 11.93
    1,1-dichloroethane 25.23
    2-methyl-1-pentanol 13.86
    methyl formate 32.54
    2-methyl-1-butanol 11.87
    n-decane 1.04
    butyronitrile 12.87
    3,7-dimethyl-1-octanol 10.23
    1-chlorooctane 5.39
    1-chlorotetradecane 2.61
    n-nonane 0.77
    undecane 0.8
    tert-butylcyclohexane 0.92
    cyclooctane 0.44
    cyclopentanol 14.08
    tetrahydropyran 29.09
    tert-amyl methyl ether 10.07
    2,5,8-trioxanonane 62.5
    1-hexene 2.56
    2-isopropoxyethanol 30.93
    2,2,2-trifluoroethanol 32.22
    methyl butyrate 24.06

    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