Protopanaxadiol

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  • Identifiers

    CAS number
    7755-01-3

    Molecular formula
    C30H52O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 83.95%
    Sweet 57.48%
    Balsamic 54.34%
    Sandalwood 51.73%
    Amber 49.93%
    Dry 40.15%
    Cedar 39.56%
    Herbal 37.68%
    Spicy 37.38%
    Earthy 37.09%

     

    Flavor
    Woody 72.19%
    Sweet 61.92%
    Balsam 51.1%
    Pine 47.05%
    Herbal 46.97%
    Camphor 38.61%
    Earthy 37.03%
    Wood 33.7%
    Fresh 32.66%
    Green 31.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    7.42 (neutral)

    Molecular weight
    460.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    86°C

    Flash point

    • 245.27 ˚C est.

  • Synonyms

    • Protopanaxadiol
    • 7755-01-3
    • DTXSID301028626
    • P6717R7BP8
    • 24-Dammarene-3beta,12beta-20S-triol
    • Dammar-24-ene-3,12,20-triol, (3beta,12beta,20R)-
    • CHEBI:76238
    • RefChem:870043
    • dammar-24-ene-3beta, 6alpha, 12beta, 20-tetrol, (20s)-
    • DTXCID101514215
    • 17-(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-3,12-diol
    • (20R)-Protopanaxadiol
    • 20(R)-Protopanaxadiol
    • (20R)-Protopanaxdiol
    • 20(R)Protopanaxdiol
    • CHEMBL1669123
    • (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-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-3,12-diol
    • MFCD01861516
    • CHEMBL28960
    • SCHEMBL108214
    • UNII-P6717R7BP8
    • CHEBI:76237
    • HY-N2040
    • BDBM50077657
    • s9402
    • AKOS037514529
    • CCG-269341
    • EBC-618488
    • FP73806
    • LMPR0106080003
    • 24-dammarene-3beta,12beta,20R-triol
    • dammar-24-ene-3beta,12beta,20R-triol
    • (1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-7,11-diol
    • AC-33939
    • DA-48632
    • CS-0018530
    • 755P013
    • (3beta,12beta,20R)-dammar-24-ene-3,12,20-triol
    • DAMMAR-24-ENE-3,12,20-TRIOL, (3.BETA.,12.BETA.,2R)-
    • DAMMAR-24-ENE-3,12,20-TRIOL, (3.BETA.,12.BETA.,20R)-
    • (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1R)-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-3,12-diol
    • (3S,8R,10R,12R,14R)-17-((R)-1-Hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14-pentamethyl-hexadecahydro-cyclopenta[a]phenanthrene-3,12-diol
    • 7755-01-3

  • Applications

    Protopanaxadiol (CAS 7755-01-3) is a dammarane-type sapogenin that serves mainly as a chemical scaffold in natural product and medicinal chemistry. In industry, it functions as a starting material and intermediate for the semi-synthetic synthesis of ginsenoside analogs and related triterpenoid derivatives. It is commonly evaluated in pharmaceutical and cosmetic research as a bioactive sapogenin scaffold for structure-activity relationship studies and for developing derivatives. It also plays a role in analytical and process development as reference material in natural product chemistry and in formulation research to assess solubility and compatibility of sapogenin-derived ingredients. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.02
    methanol 7.66
    isopropanol 6.42
    water 0.03
    ethyl acetate 7.51
    n-propanol 12.94
    acetone 9.85
    n-butanol 10.7
    acetonitrile 2.62
    DMF 48.51
    toluene 8.36
    isobutanol 7.88
    1,4-dioxane 34.95
    methyl acetate 6.18
    THF 88.38
    2-butanone 10.65
    n-pentanol 8.92
    sec-butanol 4.02
    n-hexane 0.45
    ethylene glycol 1.1
    NMP 39.83
    cyclohexane 0.44
    DMSO 18.88
    n-butyl acetate 9.56
    n-octanol 7.17
    chloroform 20.96
    n-propyl acetate 6.53
    acetic acid 7.29
    dichloromethane 11.25
    cyclohexanone 18.66
    propylene glycol 2.46
    isopropyl acetate 8.12
    DMAc 40.32
    2-ethoxyethanol 19.59
    isopentanol 7.88
    n-heptane 0.54
    ethyl formate 3.96
    1,2-dichloroethane 6.87
    n-hexanol 10.66
    2-methoxyethanol 24.78
    isobutyl acetate 7.18
    tetrachloromethane 3.77
    n-pentyl acetate 14.46
    transcutol 46.38
    n-heptanol 11.42
    ethylbenzene 4.45
    MIBK 9.74
    2-propoxyethanol 44.93
    tert-butanol 5.12
    MTBE 6.23
    2-butoxyethanol 33.68
    propionic acid 5.7
    o-xylene 4.45
    formic acid 3.28
    diethyl ether 8.47
    m-xylene 6.4
    p-xylene 4.99
    chlorobenzene 8.29
    dimethyl carbonate 8.09
    n-octane 0.22
    formamide 4.64
    cyclopentanone 29.72
    2-pentanone 11.21
    anisole 13.57
    cyclopentyl methyl ether 18.52
    gamma-butyrolactone 25.13
    1-methoxy-2-propanol 28.32
    pyridine 25.05
    3-pentanone 8.44
    furfural 20.32
    n-dodecane 0.11
    diethylene glycol 18.43
    diisopropyl ether 2.62
    tert-amyl alcohol 3.72
    acetylacetone 13.69
    n-hexadecane 0.14
    acetophenone 12.09
    methyl propionate 10.32
    isopentyl acetate 11.36
    trichloroethylene 17.82
    n-nonanol 8.36
    cyclohexanol 5.22
    benzyl alcohol 11.75
    2-ethylhexanol 6.43
    isooctanol 8.99
    dipropyl ether 8.99
    1,2-dichlorobenzene 7.51
    ethyl lactate 6.32
    propylene carbonate 10.02
    n-methylformamide 10.68
    2-pentanol 4.29
    n-pentane 0.42
    1-propoxy-2-propanol 29.01
    1-methoxy-2-propyl acetate 22.68
    2-(2-methoxypropoxy) propanol 20.56
    mesitylene 3.41
    ε-caprolactone 18.07
    p-cymene 3.84
    epichlorohydrin 29.19
    1,1,1-trichloroethane 6.56
    2-aminoethanol 5.27
    morpholine-4-carbaldehyde 50.88
    sulfolane 30.32
    2,2,4-trimethylpentane 0.34
    2-methyltetrahydrofuran 19.69
    n-hexyl acetate 15.39
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 31.14
    sec-butyl acetate 5.62
    tert-butyl acetate 10.56
    decalin 0.54
    glycerin 5.38
    diglyme 49.68
    acrylic acid 5.38
    isopropyl myristate 4.56
    n-butyric acid 9.98
    acetyl acetate 6.56
    di(2-ethylhexyl) phthalate 8.28
    ethyl propionate 6.86
    nitromethane 11.44
    1,2-diethoxyethane 13.63
    benzonitrile 7.78
    trioctyl phosphate 5.86
    1-bromopropane 3.95
    gamma-valerolactone 50.1
    n-decanol 4.36
    triethyl phosphate 5.59
    4-methyl-2-pentanol 4.3
    propionitrile 4.57
    vinylene carbonate 11.55
    1,1,2-trichlorotrifluoroethane 20.02
    DMS 9.76
    cumene 3.39
    2-octanol 5.14
    2-hexanone 9.17
    octyl acetate 7.1
    limonene 4.03
    1,2-dimethoxyethane 29.91
    ethyl orthosilicate 6.42
    tributyl phosphate 4.86
    diacetone alcohol 13.44
    N,N-dimethylaniline 10.98
    acrylonitrile 5.43
    aniline 10.52
    1,3-propanediol 9.79
    bromobenzene 7.74
    dibromomethane 7.21
    1,1,2,2-tetrachloroethane 14.66
    2-methyl-cyclohexyl acetate 10.14
    tetrabutyl urea 8.0
    diisobutyl methanol 3.68
    2-phenylethanol 16.46
    styrene 4.62
    dioctyl adipate 8.59
    dimethyl sulfate 13.07
    ethyl butyrate 8.03
    methyl lactate 8.7
    butyl lactate 14.53
    diethyl carbonate 4.99
    propanediol butyl ether 21.32
    triethyl orthoformate 9.27
    p-tert-butyltoluene 3.87
    methyl 4-tert-butylbenzoate 19.74
    morpholine 44.91
    tert-butylamine 2.71
    n-dodecanol 2.19
    dimethoxymethane 41.47
    ethylene carbonate 9.27
    cyrene 22.36
    2-ethoxyethyl acetate 21.91
    2-ethylhexyl acetate 9.36
    1,2,4-trichlorobenzene 10.7
    4-methylpyridine 18.62
    dibutyl ether 4.05
    2,6-dimethyl-4-heptanol 3.68
    DEF 14.03
    dimethyl isosorbide 33.9
    tetrachloroethylene 10.86
    eugenol 23.07
    triacetin 15.19
    span 80 18.57
    1,4-butanediol 4.11
    1,1-dichloroethane 5.8
    2-methyl-1-pentanol 6.8
    methyl formate 6.63
    2-methyl-1-butanol 6.91
    n-decane 0.34
    butyronitrile 5.04
    3,7-dimethyl-1-octanol 5.75
    1-chlorooctane 2.04
    1-chlorotetradecane 0.47
    n-nonane 0.27
    undecane 0.18
    tert-butylcyclohexane 0.55
    cyclooctane 0.28
    cyclopentanol 7.55
    tetrahydropyran 19.38
    tert-amyl methyl ether 4.86
    2,5,8-trioxanonane 29.62
    1-hexene 1.92
    2-isopropoxyethanol 14.48
    2,2,2-trifluoroethanol 3.45
    methyl butyrate 7.72

    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