(20S)-Protopanaxatriol

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  • Identifiers

    CAS number
    34080-08-5

    Molecular formula
    C30H52O4

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 75.49%
    Sweet 56.16%
    Balsamic 53.36%
    Herbal 47.91%
    Spicy 43.61%
    Camphoreous 40.88%
    Amber 40.39%
    Earthy 38.71%
    Mint 38.59%
    Sandalwood 38.26%

     

    Flavor
    Woody 55.7%
    Herbal 51.25%
    Sweet 46.16%
    Balsam 41.98%
    Pine 41.56%
    Minty 41.18%
    Earthy 36.01%
    Camphor 34.25%
    Fresh 33.19%
    Green 32.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    7.11 (neutral)

    Molecular weight
    476.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    140°C

    Flash point

    • 258.18 ˚C est.

  • Synonyms

    • 34080-08-5
    • (20S)-Protopanaxatriol
    • Protopanaxatriol
    • 20S-Protopanaxatriol
    • ZMK19P3WMP
    • DTXSID30955635
    • dammar-24-ene-3beta,6alpha,12beta,20-tetrol
    • CHEBI:75951
    • (3beta,6alpha,12beta)-dammar-24-ene-3,6,12,20-tetrol
    • Dammar-24-ene-3,6,12,20-tetrol, (3beta,6alpha,12beta)-
    • RefChem:905778
    • DTXCID801514216
    • Protopanaxtriol
    • 20(S)-protopanaxatriol
    • g-PPT
    • 20(S)-APPT
    • MFCD11041271
    • (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
    • (20S)-Protopanaxatriol (~91% HPLC)
    • 20(S)-APPT;g-PPT
    • (3ss,6a,12ss)-Dammar-24-ene-3,6,12,20-tetraol
    • hemomex-s
    • UNII-ZMK19P3WMP
    • CHEMBL255683
    • orb1304991
    • 3-Deoxy-3-oxo-20(S)-protopanaxatriol; 3-Keto-20(S)-protopanaxatriol
    • SCHEMBL12935862
    • HY-N0835
    • PANAXOSIDE A AGLYCONE A.PHI.
    • AKOS030526137
    • EBC-520326
    • FP09281
    • protopanaxatriol-type ginsenoside aglycone
    • (1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,7,11-triol
    • AC-33941
    • AS-56622
    • DA-69027
    • SY231765
    • C20716
    • BRD-K15231341-001-01-5
    • Q27896342
    • (3.BETA.,6.ALPHA.,12.BETA.)-DAMMAR-24-ENE-3,6,12,20-TETROL
    • DAMMAR-24-ENE-3,6,12,20-TETROL, (3.BETA.,6.ALPHA.,12.BETA.)-
    • DAMMAR-24-ENE-3.BETA.,6.ALPHA.,12.BETA.,20-TETROL, (20S)-
    • (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
    • 34080-08-5

  • Applications

    (20S)-Protopanaxatriol (CAS 34080-08-5) is a dammarane-type sapogenin isolated from Panax ginseng. In pharmaceutical and natural-product research, it is primarily used as a synthetic intermediate and scaffold for the semisynthesis of ginsenosides and related derivatives, and as a reference standard for quality control in analyses of ginseng extracts and ginsenosides (e.g., HPLC profiling). In drug discovery contexts it is studied as a natural-product–based scaffold for exploring bioactive compounds. In cosmetics and personal care, it may be explored as a bioactive scaffold for formulations based on ginseng-derived saponins. It may also serve as a starting material for preparing derivatives to study pharmacological properties, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.33
    methanol 20.56
    isopropanol 8.06
    water 0.03
    ethyl acetate 5.53
    n-propanol 15.97
    acetone 12.33
    n-butanol 9.67
    acetonitrile 2.84
    DMF 71.67
    toluene 4.76
    isobutanol 7.82
    1,4-dioxane 34.4
    methyl acetate 5.23
    THF 107.65
    2-butanone 10.62
    n-pentanol 8.93
    sec-butanol 3.87
    n-hexane 0.33
    ethylene glycol 2.12
    NMP 41.54
    cyclohexane 0.3
    DMSO 37.18
    n-butyl acetate 7.39
    n-octanol 6.37
    chloroform 13.66
    n-propyl acetate 5.34
    acetic acid 9.47
    dichloromethane 8.58
    cyclohexanone 16.89
    propylene glycol 4.08
    isopropyl acetate 5.28
    DMAc 41.78
    2-ethoxyethanol 24.19
    isopentanol 6.35
    n-heptane 0.37
    ethyl formate 4.75
    1,2-dichloroethane 5.77
    n-hexanol 10.15
    2-methoxyethanol 36.61
    isobutyl acetate 5.34
    tetrachloromethane 2.43
    n-pentyl acetate 11.3
    transcutol 36.4
    n-heptanol 9.81
    ethylbenzene 2.78
    MIBK 7.65
    2-propoxyethanol 45.6
    tert-butanol 5.26
    MTBE 4.31
    2-butoxyethanol 31.65
    propionic acid 5.4
    o-xylene 2.59
    formic acid 5.73
    diethyl ether 6.69
    m-xylene 3.67
    p-xylene 3.2
    chlorobenzene 4.92
    dimethyl carbonate 6.66
    n-octane 0.18
    formamide 7.68
    cyclopentanone 32.48
    2-pentanone 9.52
    anisole 8.93
    cyclopentyl methyl ether 14.89
    gamma-butyrolactone 26.73
    1-methoxy-2-propanol 32.47
    pyridine 22.88
    3-pentanone 6.51
    furfural 20.45
    n-dodecane 0.09
    diethylene glycol 23.95
    diisopropyl ether 1.63
    tert-amyl alcohol 3.27
    acetylacetone 11.72
    n-hexadecane 0.11
    acetophenone 9.25
    methyl propionate 8.26
    isopentyl acetate 7.99
    trichloroethylene 13.06
    n-nonanol 6.95
    cyclohexanol 4.04
    benzyl alcohol 10.25
    2-ethylhexanol 4.94
    isooctanol 7.3
    dipropyl ether 6.28
    1,2-dichlorobenzene 4.4
    ethyl lactate 5.44
    propylene carbonate 8.58
    n-methylformamide 18.36
    2-pentanol 3.24
    n-pentane 0.28
    1-propoxy-2-propanol 25.54
    1-methoxy-2-propyl acetate 16.17
    2-(2-methoxypropoxy) propanol 17.28
    mesitylene 1.91
    ε-caprolactone 14.71
    p-cymene 2.42
    epichlorohydrin 32.53
    1,1,1-trichloroethane 4.02
    2-aminoethanol 9.2
    morpholine-4-carbaldehyde 52.05
    sulfolane 32.68
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 18.59
    n-hexyl acetate 12.09
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 27.03
    sec-butyl acetate 3.75
    tert-butyl acetate 6.79
    decalin 0.34
    glycerin 8.44
    diglyme 42.5
    acrylic acid 5.69
    isopropyl myristate 3.23
    n-butyric acid 8.28
    acetyl acetate 4.43
    di(2-ethylhexyl) phthalate 6.59
    ethyl propionate 4.95
    nitromethane 14.27
    1,2-diethoxyethane 10.89
    benzonitrile 6.33
    trioctyl phosphate 4.85
    1-bromopropane 2.93
    gamma-valerolactone 52.62
    n-decanol 3.63
    triethyl phosphate 3.8
    4-methyl-2-pentanol 3.03
    propionitrile 4.12
    vinylene carbonate 9.86
    1,1,2-trichlorotrifluoroethane 21.3
    DMS 6.9
    cumene 2.13
    2-octanol 4.27
    2-hexanone 7.89
    octyl acetate 5.41
    limonene 2.69
    1,2-dimethoxyethane 32.87
    ethyl orthosilicate 4.17
    tributyl phosphate 3.78
    diacetone alcohol 10.89
    N,N-dimethylaniline 7.48
    acrylonitrile 5.49
    aniline 7.12
    1,3-propanediol 13.64
    bromobenzene 4.24
    dibromomethane 5.27
    1,1,2,2-tetrachloroethane 10.33
    2-methyl-cyclohexyl acetate 7.25
    tetrabutyl urea 6.66
    diisobutyl methanol 2.51
    2-phenylethanol 13.3
    styrene 2.89
    dioctyl adipate 6.51
    dimethyl sulfate 11.33
    ethyl butyrate 5.56
    methyl lactate 8.27
    butyl lactate 11.9
    diethyl carbonate 3.3
    propanediol butyl ether 21.97
    triethyl orthoformate 6.12
    p-tert-butyltoluene 2.33
    methyl 4-tert-butylbenzoate 14.27
    morpholine 47.16
    tert-butylamine 2.21
    n-dodecanol 1.83
    dimethoxymethane 48.58
    ethylene carbonate 7.76
    cyrene 20.71
    2-ethoxyethyl acetate 17.75
    2-ethylhexyl acetate 6.46
    1,2,4-trichlorobenzene 6.25
    4-methylpyridine 14.82
    dibutyl ether 3.02
    2,6-dimethyl-4-heptanol 2.51
    DEF 11.88
    dimethyl isosorbide 27.57
    tetrachloroethylene 8.22
    eugenol 18.12
    triacetin 11.09
    span 80 15.48
    1,4-butanediol 5.75
    1,1-dichloroethane 4.02
    2-methyl-1-pentanol 5.67
    methyl formate 11.13
    2-methyl-1-butanol 5.61
    n-decane 0.27
    butyronitrile 4.46
    3,7-dimethyl-1-octanol 4.24
    1-chlorooctane 1.63
    1-chlorotetradecane 0.38
    n-nonane 0.22
    undecane 0.15
    tert-butylcyclohexane 0.34
    cyclooctane 0.17
    cyclopentanol 7.5
    tetrahydropyran 17.28
    tert-amyl methyl ether 3.28
    2,5,8-trioxanonane 25.25
    1-hexene 1.44
    2-isopropoxyethanol 14.36
    2,2,2-trifluoroethanol 3.76
    methyl butyrate 6.24

    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