Zerumbone oxide

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  • Identifiers

    CAS number
    22471-70-1

    Molecular formula
    C15H22O2

    SMILES
    C/C/1=C/CCC2(C(O2)CC(/C=C/C1=O)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Mint 60.4%
    Woody 43.03%
    Tobacco 42.66%
    Herbal 42.6%
    Sweet 37.93%
    Camphoreous 37.48%
    Hay 34.82%
    Phenolic 29.91%
    Spicy 28.66%
    Coumarinic 27.94%

     

    Flavor
    Minty 51.28%
    Woody 41.55%
    Herbal 41.11%
    Mint 34.76%
    Spicy 34.43%
    Tobacco 34.34%
    Spice 32.53%
    Camphor 27.53%
    Phenolic 26.64%
    Floral 26.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.43 (neutral)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Melting point expt.

    • 100 °C

    Flash point

    • 171.1 ˚C est.

  • Synonyms

    • Zerumbone oxide
    • DTXSID001316903
    • 22471-70-1
    • RefChem:1101131
    • DTXCID301746725
    • Zerumbone epoxide
    • UXYYOHOTPOQJPD-MHLOZHTBSA-N
    • 2,3-Epoxy-6,9-humuladien-8-one
    • (4Z,7E)-1,5,9,9-TETRAMETHYL-12-OXABICYCLO[9.1.0]DODECA-4,7-DIEN-6-ONE
    • 22471-70-1

  • Applications

    Zerumbone oxide, CAS 22471-70-1, is used primarily as an odorant and fragrance ingredient in perfumery and cosmetics, contributing distinctive ginger-like notes; it may also be employed in household products such as air fresheners as a fragrance additive. In industrial manufacturing, it serves as an intermediate in organic synthesis, enabling downstream transformations. In polymer and plastics formulations, it can be evaluated as an additive or stabilizer to influence odor profiles and formulation stability. Its use is typically subject to local regulations and formulation limits, and handling should follow appropriate safety guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.12
    methanol 74.5
    isopropanol 80.56
    water 0.38
    ethyl acetate 88.38
    n-propanol 93.23
    acetone 99.47
    n-butanol 83.75
    acetonitrile 79.75
    DMF 134.75
    toluene 113.1
    isobutanol 79.37
    1,4-dioxane 169.59
    methyl acetate 116.78
    THF 190.64
    2-butanone 147.13
    n-pentanol 86.74
    sec-butanol 89.48
    n-hexane 11.54
    ethylene glycol 26.75
    NMP 133.33
    cyclohexane 20.94
    DMSO 109.14
    n-butyl acetate 120.91
    n-octanol 70.99
    chloroform 333.0
    n-propyl acetate 104.62
    acetic acid 66.33
    dichloromethane 230.09
    cyclohexanone 160.31
    propylene glycol 53.39
    isopropyl acetate 71.47
    DMAc 181.58
    2-ethoxyethanol 120.92
    isopentanol 80.81
    n-heptane 12.76
    ethyl formate 73.53
    1,2-dichloroethane 111.8
    n-hexanol 104.74
    2-methoxyethanol 123.72
    isobutyl acetate 95.91
    tetrachloromethane 40.1
    n-pentyl acetate 88.75
    transcutol 250.54
    n-heptanol 68.33
    ethylbenzene 84.23
    MIBK 80.89
    2-propoxyethanol 158.26
    tert-butanol 81.84
    MTBE 76.11
    2-butoxyethanol 111.2
    propionic acid 72.66
    o-xylene 79.06
    formic acid 24.57
    diethyl ether 67.22
    m-xylene 82.19
    p-xylene 119.36
    chlorobenzene 108.75
    dimethyl carbonate 47.65
    n-octane 8.75
    formamide 41.12
    cyclopentanone 152.12
    2-pentanone 95.26
    anisole 132.67
    cyclopentyl methyl ether 93.17
    gamma-butyrolactone 135.83
    1-methoxy-2-propanol 112.91
    pyridine 181.23
    3-pentanone 91.07
    furfural 158.16
    n-dodecane 10.16
    diethylene glycol 118.47
    diisopropyl ether 34.13
    tert-amyl alcohol 84.51
    acetylacetone 94.66
    n-hexadecane 11.47
    acetophenone 130.52
    methyl propionate 86.37
    isopentyl acetate 123.56
    trichloroethylene 230.56
    n-nonanol 67.6
    cyclohexanol 83.01
    benzyl alcohol 119.93
    2-ethylhexanol 79.23
    isooctanol 61.31
    dipropyl ether 60.88
    1,2-dichlorobenzene 100.14
    ethyl lactate 74.84
    propylene carbonate 105.83
    n-methylformamide 66.77
    2-pentanol 62.21
    n-pentane 10.91
    1-propoxy-2-propanol 123.39
    1-methoxy-2-propyl acetate 125.14
    2-(2-methoxypropoxy) propanol 123.83
    mesitylene 51.87
    ε-caprolactone 147.65
    p-cymene 57.92
    epichlorohydrin 169.79
    1,1,1-trichloroethane 120.32
    2-aminoethanol 54.16
    morpholine-4-carbaldehyde 170.48
    sulfolane 132.93
    2,2,4-trimethylpentane 11.11
    2-methyltetrahydrofuran 143.63
    n-hexyl acetate 116.71
    isooctane 8.9
    2-(2-butoxyethoxy)ethanol 137.34
    sec-butyl acetate 88.32
    tert-butyl acetate 75.53
    decalin 21.5
    glycerin 55.26
    diglyme 201.76
    acrylic acid 63.08
    isopropyl myristate 59.95
    n-butyric acid 81.63
    acetyl acetate 64.43
    di(2-ethylhexyl) phthalate 70.39
    ethyl propionate 83.68
    nitromethane 103.21
    1,2-diethoxyethane 105.94
    benzonitrile 136.64
    trioctyl phosphate 50.87
    1-bromopropane 89.29
    gamma-valerolactone 197.69
    n-decanol 54.71
    triethyl phosphate 61.43
    4-methyl-2-pentanol 52.93
    propionitrile 93.5
    vinylene carbonate 109.15
    1,1,2-trichlorotrifluoroethane 143.43
    DMS 104.88
    cumene 66.45
    2-octanol 53.19
    2-hexanone 122.11
    octyl acetate 72.4
    limonene 63.22
    1,2-dimethoxyethane 180.39
    ethyl orthosilicate 58.81
    tributyl phosphate 57.52
    diacetone alcohol 90.67
    N,N-dimethylaniline 97.68
    acrylonitrile 99.23
    aniline 95.47
    1,3-propanediol 67.89
    bromobenzene 118.25
    dibromomethane 170.59
    1,1,2,2-tetrachloroethane 191.74
    2-methyl-cyclohexyl acetate 108.48
    tetrabutyl urea 72.95
    diisobutyl methanol 50.36
    2-phenylethanol 128.56
    styrene 89.22
    dioctyl adipate 78.45
    dimethyl sulfate 61.85
    ethyl butyrate 90.31
    methyl lactate 61.97
    butyl lactate 85.24
    diethyl carbonate 76.0
    propanediol butyl ether 114.1
    triethyl orthoformate 75.63
    p-tert-butyltoluene 53.2
    methyl 4-tert-butylbenzoate 100.21
    morpholine 180.57
    tert-butylamine 54.17
    n-dodecanol 44.85
    dimethoxymethane 104.53
    ethylene carbonate 90.87
    cyrene 128.82
    2-ethoxyethyl acetate 114.73
    2-ethylhexyl acetate 107.23
    1,2,4-trichlorobenzene 123.68
    4-methylpyridine 174.26
    dibutyl ether 61.54
    2,6-dimethyl-4-heptanol 50.36
    DEF 93.57
    dimethyl isosorbide 171.61
    tetrachloroethylene 113.88
    eugenol 110.98
    triacetin 123.99
    span 80 104.83
    1,4-butanediol 50.21
    1,1-dichloroethane 128.77
    2-methyl-1-pentanol 87.62
    methyl formate 54.61
    2-methyl-1-butanol 80.38
    n-decane 14.68
    butyronitrile 94.49
    3,7-dimethyl-1-octanol 74.22
    1-chlorooctane 46.47
    1-chlorotetradecane 24.72
    n-nonane 12.58
    undecane 12.04
    tert-butylcyclohexane 19.59
    cyclooctane 10.43
    cyclopentanol 81.15
    tetrahydropyran 143.12
    tert-amyl methyl ether 70.45
    2,5,8-trioxanonane 156.47
    1-hexene 48.02
    2-isopropoxyethanol 106.93
    2,2,2-trifluoroethanol 33.92
    methyl butyrate 109.39

    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