8,9-Dihydro-8,9-dihydroxymegastigmatrienone

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  • Identifiers

    CAS number
    77842-24-1

    Molecular formula
    C13H20O3

    SMILES
    CC1=CC(=O)CC(C1=CC(C(C)O)O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 52.62%
    Sweet 45.34%
    Fruity 38.71%
    Dry 33.18%
    Floral 32.0%
    Powdery 30.86%
    Tobacco 28.76%
    Berry 27.81%
    Musk 27.26%
    Creamy 24.95%

     

    Flavor
    Bitter 40.12%
    Fruity 31.61%
    Odorless 22.54%
    Leaves 19.86%
    Cedarleaf 19.56%
    Broom 19.45%
    Molasses 19.43%
    Toffee 19.41%
    Cotton candy 19.33%
    Extremely sweet 19.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    8.64 (weak base)

    Molecular weight
    224.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    412°C

    Flash point

    • 162.92 ˚C est.

  • Synonyms

    • GC73LFE54P
    • UNII-GC73LFE54P
    • 4-(2,3-Dihydroxybutylidene)-3,5,5-trimethyl-2-cyclohexen-1-one
    • 2-Cyclohexen-1-one, 4-(2,3-dihydroxybutylidene)-3,5,5-trimethyl-
    • 77842-24-1
    • RefChem:106778
    • 8,9-Dihydro-8,9-dihydroxymegastigmatrienone
    • 8,9- Dihydro-8,9-dihydroxymegastigmatrienone
    • 77842-24-1

  • Applications

    8,9-Dihydro-8,9-dihydroxymegastigmatrienone (CAS 77842-24-1) is primarily encountered as a fragrance-related compound, where it can act as an odorant or contributor note in perfumery formulations. It may be used as an intermediate or building block in fragrance or cosmetic ingredient synthesis. In consumer products, it can be evaluated for use in cosmetics/personal care and household fragrance products to impart specific scents. It is also considered for use in coatings/inks and other industrial formulations as a fragrance additive or processing aid. Overall, its applications center on scent-related functions, with usage subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 127.05
    methanol 264.51
    isopropanol 86.7
    water 3.85
    ethyl acetate 26.41
    n-propanol 87.72
    acetone 51.62
    n-butanol 69.8
    acetonitrile 33.6
    DMF 173.11
    toluene 21.54
    isobutanol 52.54
    1,4-dioxane 148.24
    methyl acetate 31.44
    THF 222.36
    2-butanone 36.24
    n-pentanol 53.09
    sec-butanol 46.12
    n-hexane 1.6
    ethylene glycol 57.63
    NMP 130.7
    cyclohexane 2.69
    DMSO 137.06
    n-butyl acetate 25.76
    n-octanol 34.45
    chloroform 55.74
    n-propyl acetate 22.18
    acetic acid 64.12
    dichloromethane 52.46
    cyclohexanone 72.88
    propylene glycol 71.58
    isopropyl acetate 19.34
    DMAc 113.59
    2-ethoxyethanol 89.06
    isopentanol 49.59
    n-heptane 2.44
    ethyl formate 38.22
    1,2-dichloroethane 27.51
    n-hexanol 71.62
    2-methoxyethanol 184.82
    isobutyl acetate 18.59
    tetrachloromethane 7.91
    n-pentyl acetate 22.86
    transcutol 102.78
    n-heptanol 40.8
    ethylbenzene 15.88
    MIBK 28.37
    2-propoxyethanol 126.77
    tert-butanol 91.73
    MTBE 25.28
    2-butoxyethanol 61.7
    propionic acid 42.97
    o-xylene 18.83
    formic acid 73.7
    diethyl ether 24.19
    m-xylene 24.29
    p-xylene 19.96
    chlorobenzene 23.19
    dimethyl carbonate 19.18
    n-octane 1.78
    formamide 64.95
    cyclopentanone 98.68
    2-pentanone 34.79
    anisole 40.99
    cyclopentyl methyl ether 53.32
    gamma-butyrolactone 101.02
    1-methoxy-2-propanol 122.86
    pyridine 57.57
    3-pentanone 22.18
    furfural 91.52
    n-dodecane 1.99
    diethylene glycol 129.44
    diisopropyl ether 7.91
    tert-amyl alcohol 50.35
    acetylacetone 44.44
    n-hexadecane 2.2
    acetophenone 39.48
    methyl propionate 29.76
    isopentyl acetate 28.73
    trichloroethylene 52.96
    n-nonanol 31.14
    cyclohexanol 49.42
    benzyl alcohol 50.81
    2-ethylhexanol 32.19
    isooctanol 29.38
    dipropyl ether 21.24
    1,2-dichlorobenzene 23.71
    ethyl lactate 28.79
    propylene carbonate 56.12
    n-methylformamide 80.0
    2-pentanol 32.41
    n-pentane 1.47
    1-propoxy-2-propanol 73.47
    1-methoxy-2-propyl acetate 44.23
    2-(2-methoxypropoxy) propanol 52.6
    mesitylene 15.06
    ε-caprolactone 63.1
    p-cymene 14.67
    epichlorohydrin 93.96
    1,1,1-trichloroethane 19.03
    2-aminoethanol 91.66
    morpholine-4-carbaldehyde 135.16
    sulfolane 116.75
    2,2,4-trimethylpentane 1.85
    2-methyltetrahydrofuran 82.98
    n-hexyl acetate 34.27
    isooctane 1.77
    2-(2-butoxyethoxy)ethanol 68.09
    sec-butyl acetate 16.14
    tert-butyl acetate 26.74
    decalin 3.04
    glycerin 98.76
    diglyme 95.62
    acrylic acid 41.63
    isopropyl myristate 16.2
    n-butyric acid 49.83
    acetyl acetate 19.74
    di(2-ethylhexyl) phthalate 24.91
    ethyl propionate 20.98
    nitromethane 68.84
    1,2-diethoxyethane 32.68
    benzonitrile 39.74
    trioctyl phosphate 19.92
    1-bromopropane 15.74
    gamma-valerolactone 130.79
    n-decanol 23.86
    triethyl phosphate 19.39
    4-methyl-2-pentanol 24.78
    propionitrile 31.79
    vinylene carbonate 51.82
    1,1,2-trichlorotrifluoroethane 73.7
    DMS 26.22
    cumene 14.2
    2-octanol 24.37
    2-hexanone 27.3
    octyl acetate 23.14
    limonene 18.27
    1,2-dimethoxyethane 111.92
    ethyl orthosilicate 19.07
    tributyl phosphate 17.84
    diacetone alcohol 56.68
    N,N-dimethylaniline 34.57
    acrylonitrile 38.4
    aniline 38.22
    1,3-propanediol 111.31
    bromobenzene 18.63
    dibromomethane 29.35
    1,1,2,2-tetrachloroethane 44.3
    2-methyl-cyclohexyl acetate 32.11
    tetrabutyl urea 28.07
    diisobutyl methanol 19.91
    2-phenylethanol 56.1
    styrene 15.94
    dioctyl adipate 25.52
    dimethyl sulfate 34.0
    ethyl butyrate 23.53
    methyl lactate 38.28
    butyl lactate 31.35
    diethyl carbonate 16.85
    propanediol butyl ether 64.52
    triethyl orthoformate 21.13
    p-tert-butyltoluene 14.46
    methyl 4-tert-butylbenzoate 42.99
    morpholine 156.91
    tert-butylamine 39.41
    n-dodecanol 18.14
    dimethoxymethane 99.91
    ethylene carbonate 41.94
    cyrene 70.21
    2-ethoxyethyl acetate 31.27
    2-ethylhexyl acetate 21.7
    1,2,4-trichlorobenzene 29.08
    4-methylpyridine 57.86
    dibutyl ether 17.02
    2,6-dimethyl-4-heptanol 19.91
    DEF 41.25
    dimethyl isosorbide 91.75
    tetrachloroethylene 29.37
    eugenol 51.01
    triacetin 33.1
    span 80 50.94
    1,4-butanediol 52.43
    1,1-dichloroethane 21.88
    2-methyl-1-pentanol 39.4
    methyl formate 70.89
    2-methyl-1-butanol 41.78
    n-decane 3.11
    butyronitrile 40.6
    3,7-dimethyl-1-octanol 28.91
    1-chlorooctane 12.93
    1-chlorotetradecane 5.66
    n-nonane 2.64
    undecane 2.45
    tert-butylcyclohexane 3.1
    cyclooctane 1.45
    cyclopentanol 66.26
    tetrahydropyran 78.4
    tert-amyl methyl ether 23.05
    2,5,8-trioxanonane 80.53
    1-hexene 8.05
    2-isopropoxyethanol 55.19
    2,2,2-trifluoroethanol 26.17
    methyl butyrate 29.94

    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