Lycopersiconol

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  • Identifiers

    CAS number
    20745-29-3

    Molecular formula
    C21H34O3

    SMILES
    CC(=O)C1C(CC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 71.2%
    Herbal 49.35%
    Balsamic 48.32%
    Sweet 47.42%
    Mint 43.89%
    Camphoreous 39.48%
    Floral 38.52%
    Pine 36.5%
    Amber 35.01%
    Cedar 33.71%

     

    Flavor
    Fruity 48.12%
    Minty 43.72%
    Herbal 43.06%
    Fruit 36.43%
    Sweet 34.77%
    Herb 31.87%
    Woody 30.27%
    Earthy 29.39%
    Spicy 28.33%
    Fresh 27.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    6.82 (neutral)

    Molecular weight
    334.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    216°C

    Melting point expt.

    • 255 - 258 °C

    Flash point

    • 223.73 ˚C est.

  • Synonyms

    • Lycopersiconol
    • 1-(3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
    • 1-(3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)ethanone
    • 20745-29-3
    • RefChem:351437
    • CHEBI:189932
    • 20745-29-3

  • Applications

    Lycopersiconol may be explored as a specialty chemical in fragrance and flavor research, functioning as an odorant or aromatic component with potential applications in perfumery and cosmetics; it could also be considered for use as a fragrance ingredient in household and cleaning products. The compound may serve as an intermediate in industrial chemical synthesis, supporting aroma- or specialty-chemical production, and in coatings or inks as an aromatic modifier or processing aid (CAS 20745-29-3). Overall, its applications are exploratory and subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 83.25
    methanol 114.64
    isopropanol 76.48
    water 1.2
    ethyl acetate 68.41
    n-propanol 87.38
    acetone 149.93
    n-butanol 76.82
    acetonitrile 78.49
    DMF 192.68
    toluene 80.54
    isobutanol 46.79
    1,4-dioxane 208.78
    methyl acetate 48.41
    THF 653.58
    2-butanone 66.79
    n-pentanol 20.11
    sec-butanol 16.62
    n-hexane 0.92
    ethylene glycol 16.93
    NMP 60.11
    cyclohexane 4.97
    DMSO 146.33
    n-butyl acetate 45.61
    n-octanol 13.62
    chloroform 176.64
    n-propyl acetate 29.26
    acetic acid 57.42
    dichloromethane 108.56
    cyclohexanone 118.87
    propylene glycol 17.31
    isopropyl acetate 65.75
    DMAc 79.13
    2-ethoxyethanol 56.09
    isopentanol 49.84
    n-heptane 1.29
    ethyl formate 37.71
    1,2-dichloroethane 75.11
    n-hexanol 39.79
    2-methoxyethanol 176.99
    isobutyl acetate 28.24
    tetrachloromethane 22.42
    n-pentyl acetate 36.74
    transcutol 189.22
    n-heptanol 23.41
    ethylbenzene 15.39
    MIBK 60.92
    2-propoxyethanol 138.22
    tert-butanol 55.29
    MTBE 26.07
    2-butoxyethanol 67.88
    propionic acid 35.27
    o-xylene 26.65
    formic acid 35.11
    diethyl ether 59.48
    m-xylene 47.85
    p-xylene 18.97
    chlorobenzene 57.07
    dimethyl carbonate 47.34
    n-octane 0.6
    formamide 58.84
    cyclopentanone 194.71
    2-pentanone 82.15
    anisole 39.79
    cyclopentyl methyl ether 101.87
    gamma-butyrolactone 173.25
    1-methoxy-2-propanol 161.24
    pyridine 135.63
    3-pentanone 46.78
    furfural 118.69
    n-dodecane 0.48
    diethylene glycol 108.44
    diisopropyl ether 15.17
    tert-amyl alcohol 13.19
    acetylacetone 121.07
    n-hexadecane 0.6
    acetophenone 39.71
    methyl propionate 58.66
    isopentyl acetate 49.02
    trichloroethylene 138.03
    n-nonanol 15.16
    cyclohexanol 39.77
    benzyl alcohol 39.73
    2-ethylhexanol 17.92
    isooctanol 18.96
    dipropyl ether 22.71
    1,2-dichlorobenzene 42.93
    ethyl lactate 26.72
    propylene carbonate 66.02
    n-methylformamide 104.8
    2-pentanol 25.39
    n-pentane 1.99
    1-propoxy-2-propanol 81.28
    1-methoxy-2-propyl acetate 97.81
    2-(2-methoxypropoxy) propanol 49.42
    mesitylene 21.97
    ε-caprolactone 80.91
    p-cymene 12.6
    epichlorohydrin 188.42
    1,1,1-trichloroethane 58.78
    2-aminoethanol 47.0
    morpholine-4-carbaldehyde 111.98
    sulfolane 124.39
    2,2,4-trimethylpentane 0.81
    2-methyltetrahydrofuran 108.63
    n-hexyl acetate 37.77
    isooctane 1.21
    2-(2-butoxyethoxy)ethanol 72.69
    sec-butyl acetate 23.76
    tert-butyl acetate 63.11
    decalin 1.73
    glycerin 44.57
    diglyme 138.13
    acrylic acid 35.39
    isopropyl myristate 14.42
    n-butyric acid 75.61
    acetyl acetate 61.8
    di(2-ethylhexyl) phthalate 21.01
    ethyl propionate 31.28
    nitromethane 120.17
    1,2-diethoxyethane 48.59
    benzonitrile 52.6
    trioctyl phosphate 15.77
    1-bromopropane 30.09
    gamma-valerolactone 228.06
    n-decanol 10.05
    triethyl phosphate 19.07
    4-methyl-2-pentanol 21.67
    propionitrile 66.24
    vinylene carbonate 75.12
    1,1,2-trichlorotrifluoroethane 93.81
    DMS 39.38
    cumene 10.32
    2-octanol 11.08
    2-hexanone 26.68
    octyl acetate 18.05
    limonene 13.68
    1,2-dimethoxyethane 102.85
    ethyl orthosilicate 18.78
    tributyl phosphate 15.5
    diacetone alcohol 68.4
    N,N-dimethylaniline 23.47
    acrylonitrile 83.0
    aniline 79.78
    1,3-propanediol 91.15
    bromobenzene 55.64
    dibromomethane 66.89
    1,1,2,2-tetrachloroethane 101.46
    2-methyl-cyclohexyl acetate 30.3
    tetrabutyl urea 20.29
    diisobutyl methanol 13.08
    2-phenylethanol 55.76
    styrene 18.36
    dioctyl adipate 22.52
    dimethyl sulfate 58.53
    ethyl butyrate 33.1
    methyl lactate 46.52
    butyl lactate 37.35
    diethyl carbonate 23.43
    propanediol butyl ether 46.93
    triethyl orthoformate 29.72
    p-tert-butyltoluene 12.44
    methyl 4-tert-butylbenzoate 48.18
    morpholine 204.9
    tert-butylamine 22.95
    n-dodecanol 6.51
    dimethoxymethane 237.4
    ethylene carbonate 72.09
    cyrene 50.98
    2-ethoxyethyl acetate 64.75
    2-ethylhexyl acetate 33.57
    1,2,4-trichlorobenzene 51.06
    4-methylpyridine 100.73
    dibutyl ether 12.09
    2,6-dimethyl-4-heptanol 13.08
    DEF 48.3
    dimethyl isosorbide 88.52
    tetrachloroethylene 70.62
    eugenol 49.93
    triacetin 47.12
    span 80 39.47
    1,4-butanediol 18.82
    1,1-dichloroethane 67.05
    2-methyl-1-pentanol 14.71
    methyl formate 69.3
    2-methyl-1-butanol 27.94
    n-decane 0.99
    butyronitrile 63.39
    3,7-dimethyl-1-octanol 14.98
    1-chlorooctane 6.03
    1-chlorotetradecane 2.01
    n-nonane 0.81
    undecane 0.66
    tert-butylcyclohexane 1.37
    cyclooctane 1.65
    cyclopentanol 51.34
    tetrahydropyran 164.53
    tert-amyl methyl ether 13.78
    2,5,8-trioxanonane 83.09
    1-hexene 4.28
    2-isopropoxyethanol 37.9
    2,2,2-trifluoroethanol 34.94
    methyl butyrate 34.07

    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