Yuccagenin

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  • Identifiers

    CAS number
    511-97-7

    Molecular formula
    C27H42O4

    SMILES
    C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(C[C@H]([C@@H](C6)O)O)C)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Woody 61.98%
    Spicy 44.23%
    Herbal 34.68%
    Amber 32.87%
    Balsamic 32.87%
    Sweet 29.67%
    Earthy 28.36%
    Fruity 27.71%
    Fresh 27.64%
    Sandalwood 27.32%

     

    Flavor
    Bitter 39.17%
    Earthy 33.19%
    Fatty 30.69%
    Herbal 25.95%
    Fruit 25.86%
    Spicy 25.72%
    Sweet 25.48%
    Fruity 24.56%
    Fresh 24.07%
    Beet 23.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    5.99 (weak acid)

    Molecular weight
    430.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    123°C

    Flash point

    • 212.72 ˚C est.

  • Synonyms

    • Yuccagenin
    • 511-97-7
    • (25R)-spirost-5-en-2alpha,3beta-diol
    • Spirost-5-ene-2,3-diol, (2alpha,3beta,25R)-
    • (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-15,16-diol
    • (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-15,16-diol
    • RefChem:195778
    • spirost-5-en-2,3-diol
    • (25r)-spirost-5-ene-2alpha,3beta-diol
    • SCHEMBL29453864
    • DTXSID70965379
    • CHEBI:178609
    • LMST01080011
    • 511-97-7

  • Applications

    Yuccagenin, a steroidal sapogenin (CAS 511-97-7), is primarily used as a pharmaceutical intermediate for the synthesis of steroidal compounds and corticosteroid derivatives. It also shows potential in cosmetics and personal care as a biogenic phytochemical with bioactive properties, and can serve as a building block for the industrial production of steroidal compounds and analogs. In research settings, it functions as a reference material for natural products and as a precursor in structure-activity investigations of steroid sapogenin frameworks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.58
    methanol 8.08
    isopropanol 3.15
    water 0.33
    ethyl acetate 10.83
    n-propanol 7.25
    acetone 14.7
    n-butanol 9.4
    acetonitrile 14.98
    DMF 15.62
    toluene 14.85
    isobutanol 4.46
    1,4-dioxane 26.74
    methyl acetate 7.55
    THF 48.96
    2-butanone 10.45
    n-pentanol 9.58
    sec-butanol 1.13
    n-hexane 0.31
    ethylene glycol 2.12
    NMP 26.11
    cyclohexane 0.71
    DMSO 22.77
    n-butyl acetate 13.07
    n-octanol 7.8
    chloroform 35.96
    n-propyl acetate 9.78
    acetic acid 16.16
    dichloromethane 24.07
    cyclohexanone 29.92
    propylene glycol 1.5
    isopropyl acetate 12.13
    DMAc 24.03
    2-ethoxyethanol 23.08
    isopentanol 8.4
    n-heptane 0.52
    ethyl formate 8.64
    1,2-dichloroethane 13.62
    n-hexanol 11.95
    2-methoxyethanol 23.56
    isobutyl acetate 10.91
    tetrachloromethane 6.04
    n-pentyl acetate 18.49
    transcutol 57.63
    n-heptanol 13.56
    ethylbenzene 5.77
    MIBK 15.03
    2-propoxyethanol 42.91
    tert-butanol 2.72
    MTBE 2.66
    2-butoxyethanol 38.21
    propionic acid 6.64
    o-xylene 7.52
    formic acid 8.82
    diethyl ether 6.31
    m-xylene 11.47
    p-xylene 7.36
    chlorobenzene 18.07
    dimethyl carbonate 11.16
    n-octane 0.22
    formamide 12.69
    cyclopentanone 32.96
    2-pentanone 14.36
    anisole 16.05
    cyclopentyl methyl ether 16.86
    gamma-butyrolactone 31.7
    1-methoxy-2-propanol 19.4
    pyridine 33.5
    3-pentanone 10.73
    furfural 35.93
    n-dodecane 0.25
    diethylene glycol 24.35
    diisopropyl ether 2.89
    tert-amyl alcohol 1.27
    acetylacetone 22.16
    n-hexadecane 0.32
    acetophenone 19.39
    methyl propionate 11.18
    isopentyl acetate 15.72
    trichloroethylene 31.95
    n-nonanol 9.99
    cyclohexanol 5.32
    benzyl alcohol 17.46
    2-ethylhexanol 7.6
    isooctanol 11.05
    dipropyl ether 7.49
    1,2-dichlorobenzene 17.23
    ethyl lactate 9.22
    propylene carbonate 16.37
    n-methylformamide 12.48
    2-pentanol 2.81
    n-pentane 0.35
    1-propoxy-2-propanol 23.52
    1-methoxy-2-propyl acetate 26.04
    2-(2-methoxypropoxy) propanol 23.36
    mesitylene 6.43
    ε-caprolactone 25.33
    p-cymene 5.56
    epichlorohydrin 35.25
    1,1,1-trichloroethane 10.88
    2-aminoethanol 5.42
    morpholine-4-carbaldehyde 41.91
    sulfolane 31.79
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 11.32
    n-hexyl acetate 18.68
    isooctane 0.36
    2-(2-butoxyethoxy)ethanol 35.14
    sec-butyl acetate 7.81
    tert-butyl acetate 13.07
    decalin 0.76
    glycerin 6.01
    diglyme 57.48
    acrylic acid 9.14
    isopropyl myristate 7.96
    n-butyric acid 16.95
    acetyl acetate 15.24
    di(2-ethylhexyl) phthalate 13.0
    ethyl propionate 9.2
    nitromethane 27.2
    1,2-diethoxyethane 14.37
    benzonitrile 19.86
    trioctyl phosphate 9.05
    1-bromopropane 5.22
    gamma-valerolactone 61.65
    n-decanol 6.15
    triethyl phosphate 8.11
    4-methyl-2-pentanol 4.62
    propionitrile 11.33
    vinylene carbonate 23.27
    1,1,2-trichlorotrifluoroethane 25.64
    DMS 12.27
    cumene 4.63
    2-octanol 4.97
    2-hexanone 11.14
    octyl acetate 10.61
    limonene 5.19
    1,2-dimethoxyethane 27.99
    ethyl orthosilicate 8.65
    tributyl phosphate 7.77
    diacetone alcohol 14.94
    N,N-dimethylaniline 11.72
    acrylonitrile 17.04
    aniline 16.17
    1,3-propanediol 11.88
    bromobenzene 17.52
    dibromomethane 15.48
    1,1,2,2-tetrachloroethane 20.62
    2-methyl-cyclohexyl acetate 14.67
    tetrabutyl urea 11.39
    diisobutyl methanol 4.74
    2-phenylethanol 24.84
    styrene 6.75
    dioctyl adipate 13.25
    dimethyl sulfate 15.26
    ethyl butyrate 11.69
    methyl lactate 11.23
    butyl lactate 17.42
    diethyl carbonate 8.16
    propanediol butyl ether 19.46
    triethyl orthoformate 12.29
    p-tert-butyltoluene 5.0
    methyl 4-tert-butylbenzoate 24.68
    morpholine 25.26
    tert-butylamine 1.6
    n-dodecanol 3.64
    dimethoxymethane 29.46
    ethylene carbonate 19.81
    cyrene 26.12
    2-ethoxyethyl acetate 27.25
    2-ethylhexyl acetate 12.31
    1,2,4-trichlorobenzene 20.43
    4-methylpyridine 25.49
    dibutyl ether 4.77
    2,6-dimethyl-4-heptanol 4.74
    DEF 14.03
    dimethyl isosorbide 38.75
    tetrachloroethylene 18.43
    eugenol 28.65
    triacetin 20.83
    span 80 20.28
    1,4-butanediol 5.95
    1,1-dichloroethane 8.73
    2-methyl-1-pentanol 7.42
    methyl formate 9.35
    2-methyl-1-butanol 4.74
    n-decane 0.53
    butyronitrile 11.69
    3,7-dimethyl-1-octanol 7.11
    1-chlorooctane 2.86
    1-chlorotetradecane 1.03
    n-nonane 0.37
    undecane 0.35
    tert-butylcyclohexane 0.56
    cyclooctane 0.45
    cyclopentanol 4.82
    tetrahydropyran 14.25
    tert-amyl methyl ether 2.44
    2,5,8-trioxanonane 37.89
    1-hexene 1.45
    2-isopropoxyethanol 15.89
    2,2,2-trifluoroethanol 9.56
    methyl butyrate 10.97

    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