Schottenone

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  • Identifiers

    CAS number
    77790-54-6

    Molecular formula
    C29H48O

    SMILES
    CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 84.01%
    Sandalwood 45.83%
    Amber 45.32%
    Dry 42.26%
    Balsamic 38.42%
    Vetiver 37.83%
    Waxy 37.42%
    Spicy 36.89%
    Cedar 36.57%
    Herbal 33.93%

     

    Flavor
    Woody 43.18%
    Wood 35.69%
    Spice 33.95%
    Herb 31.78%
    Herbal 30.47%
    Waxy 22.84%
    Terpentine 21.53%
    Cedarleaf 21.32%
    Fir needle 21.1%
    Terpene 21.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.7

    pKa est.
    7.52 (neutral)

    Molecular weight
    412.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    495°C

    Flash point

    • 218.56 ˚C est.

  • Synonyms

    • Schottenone
    • 77790-54-6
    • (5S,9R,10S,13R,14R,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one
    • (5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • RefChem:181861
    • 5alpha-Stigmast-7-en-3-one
    • DTXSID901318118
    • 77790-54-6

  • Applications

    Schottenone (CAS 77790-54-6) is typically used in fragrance-related applications as an aroma compound and synthetic intermediate. In perfumery and cosmetics, it may serve as a scent ingredient or fixative component within formulations. It can also be explored as an odorant in household products such as cleaners and air fresheners. In industrial manufacturing, Schottenone may function as an intermediate for the synthesis of more complex aromatic compounds. Depending on formulation needs and regulatory limits, it may be evaluated for use in polymers/plastics as an additive or processing aid, and in coatings or inks as a scent additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.67
    methanol 4.64
    isopropanol 25.07
    water 0.04
    ethyl acetate 59.4
    n-propanol 35.77
    acetone 45.0
    n-butanol 49.79
    acetonitrile 9.01
    DMF 28.05
    toluene 152.76
    isobutanol 30.92
    1,4-dioxane 113.18
    methyl acetate 28.44
    THF 169.48
    2-butanone 56.44
    n-pentanol 29.42
    sec-butanol 19.24
    n-hexane 5.7
    ethylene glycol 0.71
    NMP 56.62
    cyclohexane 16.8
    DMSO 10.13
    n-butyl acetate 70.7
    n-octanol 17.82
    chloroform 160.75
    n-propyl acetate 45.16
    acetic acid 12.62
    dichloromethane 101.37
    cyclohexanone 115.67
    propylene glycol 2.02
    isopropyl acetate 72.41
    DMAc 62.14
    2-ethoxyethanol 35.17
    isopentanol 52.1
    n-heptane 6.69
    ethyl formate 15.33
    1,2-dichloroethane 66.59
    n-hexanol 43.82
    2-methoxyethanol 33.94
    isobutyl acetate 51.7
    tetrachloromethane 28.7
    n-pentyl acetate 68.0
    transcutol 238.48
    n-heptanol 31.09
    ethylbenzene 49.38
    MIBK 70.94
    2-propoxyethanol 94.2
    tert-butanol 21.57
    MTBE 45.68
    2-butoxyethanol 69.55
    propionic acid 13.59
    o-xylene 67.33
    formic acid 2.25
    diethyl ether 80.37
    m-xylene 97.41
    p-xylene 51.92
    chlorobenzene 94.82
    dimethyl carbonate 18.23
    n-octane 1.84
    formamide 3.78
    cyclopentanone 98.21
    2-pentanone 72.94
    anisole 82.31
    cyclopentyl methyl ether 101.07
    gamma-butyrolactone 68.36
    1-methoxy-2-propanol 47.62
    pyridine 111.55
    3-pentanone 57.48
    furfural 60.49
    n-dodecane 1.13
    diethylene glycol 24.19
    diisopropyl ether 32.73
    tert-amyl alcohol 16.3
    acetylacetone 80.96
    n-hexadecane 1.43
    acetophenone 66.53
    methyl propionate 43.12
    isopentyl acetate 92.75
    trichloroethylene 133.81
    n-nonanol 22.39
    cyclohexanol 41.87
    benzyl alcohol 44.39
    2-ethylhexanol 35.7
    isooctanol 30.09
    dipropyl ether 60.77
    1,2-dichlorobenzene 84.05
    ethyl lactate 19.23
    propylene carbonate 43.53
    n-methylformamide 8.82
    2-pentanol 30.41
    n-pentane 8.16
    1-propoxy-2-propanol 79.74
    1-methoxy-2-propyl acetate 120.93
    2-(2-methoxypropoxy) propanol 63.51
    mesitylene 52.55
    ε-caprolactone 104.9
    p-cymene 37.28
    epichlorohydrin 100.81
    1,1,1-trichloroethane 74.7
    2-aminoethanol 4.25
    morpholine-4-carbaldehyde 83.46
    sulfolane 54.82
    2,2,4-trimethylpentane 4.43
    2-methyltetrahydrofuran 100.55
    n-hexyl acetate 64.77
    isooctane 4.77
    2-(2-butoxyethoxy)ethanol 88.22
    sec-butyl acetate 48.4
    tert-butyl acetate 83.91
    decalin 8.56
    glycerin 4.14
    diglyme 161.49
    acrylic acid 8.79
    isopropyl myristate 29.66
    n-butyric acid 46.17
    acetyl acetate 45.52
    di(2-ethylhexyl) phthalate 33.79
    ethyl propionate 44.23
    nitromethane 19.32
    1,2-diethoxyethane 96.55
    benzonitrile 46.02
    trioctyl phosphate 20.69
    1-bromopropane 59.9
    gamma-valerolactone 154.03
    n-decanol 14.37
    triethyl phosphate 34.96
    4-methyl-2-pentanol 30.5
    propionitrile 22.22
    vinylene carbonate 42.3
    1,1,2-trichlorotrifluoroethane 44.44
    DMS 44.22
    cumene 32.76
    2-octanol 16.77
    2-hexanone 48.53
    octyl acetate 32.71
    limonene 40.85
    1,2-dimethoxyethane 74.52
    ethyl orthosilicate 41.21
    tributyl phosphate 23.11
    diacetone alcohol 57.07
    N,N-dimethylaniline 55.3
    acrylonitrile 16.89
    aniline 76.28
    1,3-propanediol 17.25
    bromobenzene 116.04
    dibromomethane 79.59
    1,1,2,2-tetrachloroethane 103.1
    2-methyl-cyclohexyl acetate 65.53
    tetrabutyl urea 31.83
    diisobutyl methanol 26.77
    2-phenylethanol 68.37
    styrene 53.6
    dioctyl adipate 44.22
    dimethyl sulfate 22.26
    ethyl butyrate 62.91
    methyl lactate 15.61
    butyl lactate 46.13
    diethyl carbonate 38.54
    propanediol butyl ether 33.61
    triethyl orthoformate 64.69
    p-tert-butyltoluene 34.08
    methyl 4-tert-butylbenzoate 78.14
    morpholine 113.63
    tert-butylamine 18.72
    n-dodecanol 9.76
    dimethoxymethane 62.31
    ethylene carbonate 41.02
    cyrene 53.42
    2-ethoxyethyl acetate 104.87
    2-ethylhexyl acetate 79.73
    1,2,4-trichlorobenzene 98.56
    4-methylpyridine 115.97
    dibutyl ether 31.13
    2,6-dimethyl-4-heptanol 26.77
    DEF 58.89
    dimethyl isosorbide 118.28
    tetrachloroethylene 70.22
    eugenol 70.6
    triacetin 72.86
    span 80 51.98
    1,4-butanediol 5.61
    1,1-dichloroethane 65.66
    2-methyl-1-pentanol 33.43
    methyl formate 6.26
    2-methyl-1-butanol 39.93
    n-decane 2.87
    butyronitrile 33.12
    3,7-dimethyl-1-octanol 25.76
    1-chlorooctane 14.61
    1-chlorotetradecane 4.71
    n-nonane 2.32
    undecane 1.68
    tert-butylcyclohexane 6.75
    cyclooctane 6.46
    cyclopentanol 25.74
    tetrahydropyran 141.28
    tert-amyl methyl ether 35.08
    2,5,8-trioxanonane 96.17
    1-hexene 19.54
    2-isopropoxyethanol 37.63
    2,2,2-trifluoroethanol 6.69
    methyl butyrate 45.88

    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