Zederone

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  • Identifiers

    CAS number
    7727-79-9

    Molecular formula
    C15H18O3

    SMILES
    C/C/1=C\CC[C@@]2([C@@H](O2)C(=O)C3=C(C1)OC=C3C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 36.47%
    Mint 34.0%
    Floral 33.76%
    Tobacco 32.21%
    Woody 31.62%
    Herbal 29.58%
    Hay 29.57%
    Coumarinic 29.49%
    Fruity 28.66%
    Spicy 26.77%

     

    Flavor
    Bitter 35.87%
    Minty 28.66%
    Spice 24.7%
    Earthy 24.21%
    Musty 22.61%
    Tobacco 22.2%
    Nutty 21.65%
    Roasted 21.09%
    Ripe apricot 20.99%
    Woody 20.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.11 (neutral)

    Molecular weight
    246.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    421°C

    Flash point

    • 151.43 ˚C est.

  • Synonyms

    • Zederone
    • LX0KJU7TDS
    • 7727-79-9
    • Oxireno(4,5)cyclodeca(1,2-b)furan-10(2H)-one, 1a,3,6,10a-tetrahydro-1a,5,9-trimethyl-, (1aR,4E,10aR)-
    • RefChem:195897
    • 5,9,14-trimethyl-4,12-dioxatricyclo(9.3.0.0^(3,5))tetradeca-1(11),8,13-trien-2-one
    • (3R,5R,8E)-5,9,14-trimethyl-4,12-dioxatricyclo(9.3.0.03,5)tetradeca-1(11),8,13-trien-2-one
    • (1aR,4E,10aR)-1a,3,6,10a-Tetrahydro-1a,5,9-trimethyloxireno[4,5]cyclodeca[1,2-b]furan-10(2H)-one
    • UNII-LX0KJU7TDS
    • DTXSID701381937
    • EBC-618468
    • E87110
    • (3R,5R,8E)-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.0,3,5]tetradeca-1(11),8,13-trien-2-one
    • 7727-79-9

  • Applications

    Zederone (CAS 7727-79-9) is primarily used as an aroma compound in fragrance applications, where it provides a cedar-like odor and can function as a fragrance fixative in perfumery. It is commonly incorporated into cosmetics and personal care products to impart its scent, and is also used in household products such as cleaners, detergents, and air fresheners for fragrance profiles. In industrial manufacturing, Zederone may be evaluated as a fragrance intermediate or additive in coatings and inks where odor considerations matter, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.65
    methanol 65.37
    isopropanol 36.89
    water 0.18
    ethyl acetate 42.33
    n-propanol 50.01
    acetone 64.62
    n-butanol 49.4
    acetonitrile 39.15
    DMF 107.67
    toluene 75.41
    isobutanol 44.63
    1,4-dioxane 139.38
    methyl acetate 60.24
    THF 169.82
    2-butanone 80.32
    n-pentanol 52.91
    sec-butanol 37.42
    n-hexane 1.56
    ethylene glycol 20.62
    NMP 122.86
    cyclohexane 7.25
    DMSO 72.04
    n-butyl acetate 52.51
    n-octanol 32.43
    chloroform 218.37
    n-propyl acetate 48.75
    acetic acid 54.61
    dichloromethane 164.46
    cyclohexanone 129.28
    propylene glycol 28.35
    isopropyl acetate 35.48
    DMAc 126.59
    2-ethoxyethanol 76.01
    isopentanol 49.07
    n-heptane 2.29
    ethyl formate 49.35
    1,2-dichloroethane 76.7
    n-hexanol 55.13
    2-methoxyethanol 98.85
    isobutyl acetate 46.11
    tetrachloromethane 19.12
    n-pentyl acetate 46.05
    transcutol 170.86
    n-heptanol 33.01
    ethylbenzene 36.46
    MIBK 45.07
    2-propoxyethanol 104.27
    tert-butanol 40.82
    MTBE 31.6
    2-butoxyethanol 67.49
    propionic acid 41.26
    o-xylene 41.13
    formic acid 24.18
    diethyl ether 26.58
    m-xylene 41.5
    p-xylene 57.46
    chlorobenzene 80.51
    dimethyl carbonate 28.89
    n-octane 1.59
    formamide 40.05
    cyclopentanone 132.22
    2-pentanone 54.58
    anisole 68.41
    cyclopentyl methyl ether 58.78
    gamma-butyrolactone 109.09
    1-methoxy-2-propanol 68.1
    pyridine 152.22
    3-pentanone 45.84
    furfural 134.18
    n-dodecane 2.7
    diethylene glycol 86.64
    diisopropyl ether 11.39
    tert-amyl alcohol 35.13
    acetylacetone 58.52
    n-hexadecane 3.24
    acetophenone 77.53
    methyl propionate 42.49
    isopentyl acetate 58.94
    trichloroethylene 174.53
    n-nonanol 33.39
    cyclohexanol 59.33
    benzyl alcohol 84.07
    2-ethylhexanol 36.69
    isooctanol 29.39
    dipropyl ether 22.54
    1,2-dichlorobenzene 66.05
    ethyl lactate 34.96
    propylene carbonate 74.04
    n-methylformamide 48.67
    2-pentanol 27.43
    n-pentane 1.95
    1-propoxy-2-propanol 68.4
    1-methoxy-2-propyl acetate 63.4
    2-(2-methoxypropoxy) propanol 74.73
    mesitylene 21.81
    ε-caprolactone 104.63
    p-cymene 24.13
    epichlorohydrin 140.71
    1,1,1-trichloroethane 68.54
    2-aminoethanol 39.69
    morpholine-4-carbaldehyde 143.69
    sulfolane 105.48
    2,2,4-trimethylpentane 2.53
    2-methyltetrahydrofuran 98.38
    n-hexyl acetate 61.58
    isooctane 1.83
    2-(2-butoxyethoxy)ethanol 93.58
    sec-butyl acetate 38.61
    tert-butyl acetate 36.29
    decalin 6.21
    glycerin 41.3
    diglyme 133.1
    acrylic acid 42.02
    isopropyl myristate 30.32
    n-butyric acid 55.9
    acetyl acetate 36.22
    di(2-ethylhexyl) phthalate 45.54
    ethyl propionate 36.79
    nitromethane 67.47
    1,2-diethoxyethane 61.91
    benzonitrile 90.09
    trioctyl phosphate 28.72
    1-bromopropane 41.88
    gamma-valerolactone 176.8
    n-decanol 25.9
    triethyl phosphate 30.24
    4-methyl-2-pentanol 23.74
    propionitrile 47.64
    vinylene carbonate 78.36
    1,1,2-trichlorotrifluoroethane 102.57
    DMS 54.1
    cumene 25.81
    2-octanol 23.2
    2-hexanone 61.91
    octyl acetate 38.13
    limonene 27.93
    1,2-dimethoxyethane 117.91
    ethyl orthosilicate 30.39
    tributyl phosphate 31.12
    diacetone alcohol 54.67
    N,N-dimethylaniline 47.31
    acrylonitrile 58.28
    aniline 76.9
    1,3-propanediol 52.6
    bromobenzene 86.46
    dibromomethane 101.1
    1,1,2,2-tetrachloroethane 126.08
    2-methyl-cyclohexyl acetate 57.08
    tetrabutyl urea 43.56
    diisobutyl methanol 20.82
    2-phenylethanol 84.29
    styrene 42.0
    dioctyl adipate 46.02
    dimethyl sulfate 33.53
    ethyl butyrate 41.19
    methyl lactate 33.34
    butyl lactate 45.64
    diethyl carbonate 35.21
    propanediol butyl ether 62.57
    triethyl orthoformate 38.0
    p-tert-butyltoluene 21.47
    methyl 4-tert-butylbenzoate 57.45
    morpholine 145.25
    tert-butylamine 23.76
    n-dodecanol 20.17
    dimethoxymethane 70.27
    ethylene carbonate 63.17
    cyrene 91.8
    2-ethoxyethyl acetate 67.29
    2-ethylhexyl acetate 49.59
    1,2,4-trichlorobenzene 86.86
    4-methylpyridine 140.57
    dibutyl ether 26.99
    2,6-dimethyl-4-heptanol 20.82
    DEF 58.33
    dimethyl isosorbide 112.39
    tetrachloroethylene 79.69
    eugenol 69.13
    triacetin 60.57
    span 80 66.3
    1,4-butanediol 36.07
    1,1-dichloroethane 70.18
    2-methyl-1-pentanol 55.34
    methyl formate 43.21
    2-methyl-1-butanol 47.11
    n-decane 3.82
    butyronitrile 54.19
    3,7-dimethyl-1-octanol 35.18
    1-chlorooctane 18.92
    1-chlorotetradecane 10.29
    n-nonane 2.74
    undecane 3.15
    tert-butylcyclohexane 4.78
    cyclooctane 2.39
    cyclopentanol 58.96
    tetrahydropyran 99.6
    tert-amyl methyl ether 27.42
    2,5,8-trioxanonane 107.57
    1-hexene 10.74
    2-isopropoxyethanol 62.03
    2,2,2-trifluoroethanol 22.49
    methyl butyrate 53.05

    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