Zedoarondiol

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  • Identifiers

    CAS number
    98644-24-7

    Molecular formula
    C15H24O3

    SMILES
    CC(=C1C[C@H]2[C@@H](CC[C@@]2(C)O)[C@@](CC1=O)(C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 57.13%
    Mint 53.43%
    Woody 51.84%
    Sweet 45.42%
    Camphoreous 45.35%
    Fresh 40.78%
    Cooling 36.73%
    Pine 35.43%
    Spicy 34.7%
    Earthy 33.91%

     

    Flavor
    Minty 62.35%
    Fresh 39.35%
    Herbal 34.77%
    Mint 29.15%
    Herb 24.88%
    Bitter 24.08%
    Spearmint 23.59%
    Peppermint 21.2%
    Camphor 21.19%
    Basil 20.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.86 (weak base)

    Molecular weight
    252.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    543°C

    Flash point

    • 135.47 ˚C est.

  • Synonyms

    • Zedoarondiol
    • 98644-24-7
    • 2758Q22LPQ
    • DTXSID501317851
    • RefChem:934499
    • DTXCID201747649
    • (3S,3aS,8R,8aR)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
    • 1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one
    • 3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
    • 4,10-Epizedoarondiol
    • 6(1H)-Azulenone, octahydro-1,4-dihydroxy-1,4-dimethyl-7-(1-methylethylidene)-, (1R,3aR,4S,8aS)-
    • CHEMBL2332880
    • (1R,3aR,4S,8aS)-1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one
    • (3R,3aS,8S,8aR)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
    • (1R,3aR,4S,8aS)-1,4-Dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)octahydroazulen-6(1H)-one
    • BDBM50429859
    • AKOS040760767
    • HY-122915
    • CS-0090428
    • (1R,3aR,4S,8aS)-Octahydro-1,4-dihydroxy-1,4-dimethyl-7-(1-methylethylidene)-6(1H)-azulenone
    • (3R,3aS,8S,8aR)-3,8-dihydroxy-5-isopropylidene-3,8-dimethyl-1,2,3a,4,7,8a-hexahydroazulen-6-one
    • 6(1H)-Azulenone, octahydro-1,4-dihydroxy-1,4-dimethyl-7-(1-methylethylidene)-, [1R-(1alpha,3aalpha,4beta,8abeta)]-
    • 98644-24-7

  • Applications

    Zedoarondiol (CAS 98644-24-7) is a natural product commonly encountered as an odorant and potential fragrance ingredient. In perfumery it may serve as a fragrance component or as a synthesis intermediate for related scent compounds; in cosmetics and personal care it can be used as a fragrance additive. It may be considered for inclusion in household products such as air fresheners and cleaners to impart a distinctive aroma. In coatings and inks it can act as a fragrance additive or functional scent modifier in the final product. Its use is generally subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 199.86
    methanol 536.03
    isopropanol 169.65
    water 15.7
    ethyl acetate 101.5
    n-propanol 157.27
    acetone 258.39
    n-butanol 124.35
    acetonitrile 148.58
    DMF 675.0
    toluene 85.4
    isobutanol 111.66
    1,4-dioxane 512.97
    methyl acetate 132.87
    THF 605.0
    2-butanone 159.34
    n-pentanol 91.3
    sec-butanol 101.73
    n-hexane 3.57
    ethylene glycol 106.04
    NMP 340.51
    cyclohexane 9.12
    DMSO 385.78
    n-butyl acetate 74.78
    n-octanol 64.23
    chloroform 360.5
    n-propyl acetate 73.47
    acetic acid 166.35
    dichloromethane 274.96
    cyclohexanone 237.74
    propylene glycol 136.7
    isopropyl acetate 72.97
    DMAc 379.42
    2-ethoxyethanol 177.3
    isopentanol 94.54
    n-heptane 4.39
    ethyl formate 128.53
    1,2-dichloroethane 115.04
    n-hexanol 107.36
    2-methoxyethanol 384.72
    isobutyl acetate 62.14
    tetrachloromethane 43.17
    n-pentyl acetate 64.65
    transcutol 247.95
    n-heptanol 70.9
    ethylbenzene 47.18
    MIBK 81.42
    2-propoxyethanol 267.22
    tert-butanol 171.7
    MTBE 66.13
    2-butoxyethanol 131.93
    propionic acid 117.85
    o-xylene 56.84
    formic acid 147.81
    diethyl ether 68.2
    m-xylene 58.64
    p-xylene 73.85
    chlorobenzene 96.7
    dimethyl carbonate 89.86
    n-octane 3.08
    formamide 212.23
    cyclopentanone 332.59
    2-pentanone 108.09
    anisole 119.02
    cyclopentyl methyl ether 126.92
    gamma-butyrolactone 344.8
    1-methoxy-2-propanol 280.41
    pyridine 238.26
    3-pentanone 78.16
    furfural 339.03
    n-dodecane 3.49
    diethylene glycol 263.64
    diisopropyl ether 19.57
    tert-amyl alcohol 94.84
    acetylacetone 167.57
    n-hexadecane 4.05
    acetophenone 116.06
    methyl propionate 105.7
    isopentyl acetate 78.43
    trichloroethylene 246.46
    n-nonanol 59.63
    cyclohexanol 107.54
    benzyl alcohol 129.11
    2-ethylhexanol 56.15
    isooctanol 53.78
    dipropyl ether 45.82
    1,2-dichlorobenzene 87.98
    ethyl lactate 73.24
    propylene carbonate 182.68
    n-methylformamide 281.37
    2-pentanol 60.82
    n-pentane 3.75
    1-propoxy-2-propanol 151.1
    1-methoxy-2-propyl acetate 112.01
    2-(2-methoxypropoxy) propanol 109.14
    mesitylene 34.53
    ε-caprolactone 179.34
    p-cymene 31.58
    epichlorohydrin 300.75
    1,1,1-trichloroethane 106.94
    2-aminoethanol 171.52
    morpholine-4-carbaldehyde 466.13
    sulfolane 324.59
    2,2,4-trimethylpentane 3.38
    2-methyltetrahydrofuran 211.69
    n-hexyl acetate 89.57
    isooctane 2.86
    2-(2-butoxyethoxy)ethanol 141.84
    sec-butyl acetate 52.41
    tert-butyl acetate 74.89
    decalin 7.2
    glycerin 214.76
    diglyme 236.14
    acrylic acid 120.97
    isopropyl myristate 39.86
    n-butyric acid 135.07
    acetyl acetate 92.47
    di(2-ethylhexyl) phthalate 57.6
    ethyl propionate 68.45
    nitromethane 325.47
    1,2-diethoxyethane 82.65
    benzonitrile 142.62
    trioctyl phosphate 42.46
    1-bromopropane 54.34
    gamma-valerolactone 477.17
    n-decanol 45.04
    triethyl phosphate 45.82
    4-methyl-2-pentanol 47.16
    propionitrile 118.6
    vinylene carbonate 204.6
    1,1,2-trichlorotrifluoroethane 235.18
    DMS 86.62
    cumene 35.64
    2-octanol 46.53
    2-hexanone 87.86
    octyl acetate 55.05
    limonene 37.99
    1,2-dimethoxyethane 326.09
    ethyl orthosilicate 43.57
    tributyl phosphate 43.53
    diacetone alcohol 127.94
    N,N-dimethylaniline 86.67
    acrylonitrile 164.61
    aniline 116.64
    1,3-propanediol 208.46
    bromobenzene 83.95
    dibromomethane 139.31
    1,1,2,2-tetrachloroethane 208.9
    2-methyl-cyclohexyl acetate 71.2
    tetrabutyl urea 64.67
    diisobutyl methanol 34.61
    2-phenylethanol 130.89
    styrene 51.4
    dioctyl adipate 60.99
    dimethyl sulfate 139.53
    ethyl butyrate 62.01
    methyl lactate 117.44
    butyl lactate 75.47
    diethyl carbonate 49.91
    propanediol butyl ether 131.27
    triethyl orthoformate 55.46
    p-tert-butyltoluene 30.99
    methyl 4-tert-butylbenzoate 97.58
    morpholine 435.65
    tert-butylamine 76.69
    n-dodecanol 33.83
    dimethoxymethane 328.79
    ethylene carbonate 160.24
    cyrene 167.29
    2-ethoxyethyl acetate 85.32
    2-ethylhexyl acetate 58.9
    1,2,4-trichlorobenzene 110.01
    4-methylpyridine 221.32
    dibutyl ether 41.77
    2,6-dimethyl-4-heptanol 34.61
    DEF 132.07
    dimethyl isosorbide 196.57
    tetrachloroethylene 125.13
    eugenol 112.96
    triacetin 89.63
    span 80 107.11
    1,4-butanediol 94.58
    1,1-dichloroethane 116.91
    2-methyl-1-pentanol 74.85
    methyl formate 249.76
    2-methyl-1-butanol 84.85
    n-decane 5.79
    butyronitrile 116.42
    3,7-dimethyl-1-octanol 56.3
    1-chlorooctane 26.2
    1-chlorotetradecane 11.17
    n-nonane 4.81
    undecane 4.39
    tert-butylcyclohexane 6.31
    cyclooctane 3.48
    cyclopentanol 151.66
    tetrahydropyran 236.24
    tert-amyl methyl ether 46.75
    2,5,8-trioxanonane 180.87
    1-hexene 18.03
    2-isopropoxyethanol 114.79
    2,2,2-trifluoroethanol 94.21
    methyl butyrate 97.38

    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