Soyasapogenol A

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  • Identifiers

    CAS number
    508-01-0

    Molecular formula
    C30H50O4

    SMILES
    C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC([C@H]([C@H]5O)O)(C)C)C)C)C)(C)CO)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.37%
    Amber 48.62%
    Balsamic 44.95%
    Dry 42.69%
    Sandalwood 42.6%
    Cedar 42.11%
    Sweet 40.85%
    Spicy 40.04%
    Camphoreous 39.85%
    Earthy 39.42%

     

    Flavor
    Woody 62.21%
    Pine 50.04%
    Camphor 50.03%
    Sweet 48.74%
    Bitter 44.47%
    Balsam 44.38%
    Herbal 44.08%
    Earthy 41.95%
    Spicy 36.49%
    Earth 34.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    6.83 (neutral)

    Molecular weight
    474.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    118°C

    Flash point

    • 278.49 ˚C est.

  • Synonyms

    • Soyasapogenol A
    • 508-01-0
    • 43T6J3O9WL
    • CHEBI:62440
    • (3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol
    • Olean-12-ene-3,21,22,23-tetrol
    • (3beta,21beta,22beta)-olean-12-ene-3,21,22,24-tetrol
    • Olean-12-ene-3,21,22,23-tetrol, (3beta,4beta,21beta,22beta)-
    • DTXSID00965029
    • RefChem:184502
    • DTXCID701776106
    • SOYASAPOGENOL A(P)
    • soyasapogenol-A
    • (3R,4S,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-(Hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,10-triol
    • 3beta,21beta,22beta,24-tetrahydroxyolean-12-ene
    • (3beta,4beta,21beta,22beta)-olean-12-ene-3,21,22,23-tetrol
    • UNII-43T6J3O9WL
    • Soyasapogenin A
    • Olean-12-ene-3,21,22,23-tetrol, (3ss,4ss,21ss,22ss)-; Olean-12-ene-3ss,21ss,22ss,24-tetrol (8CI); Soyasapogenol A (6CI,7CI); (3ss,4ss,21ss,22ss)-Olean-12-ene-3,21,22,23-tetrol
    • Soyasapogenol A (Standard)
    • SCHEMBL828826
    • CHEMBL1762006
    • HY-N6073R
    • WLZ4690
    • HY-N6073
    • AKOS032945989
    • EBC-618539
    • FS65704
    • DA-77953
    • MS-28813
    • CS-0032501
    • C17419
    • G12203
    • Q27131898
    • OLEAN-12-ENE-3.BETA.,21.BETA.,22.BETA.,24-TETROL
    • OLEAN-12-ENE-3,21,22,23-TETROL, (3.BETA.,4.BETA.,21.BETA.,22.BETA.)-
    • 508-01-0

  • Applications

    Soyasapogenol A (CAS 508-01-0) is a triterpenoid sapogenin that is commonly evaluated as a building block for the synthesis of steroid-like compounds in pharmaceutical and fine chemical manufacturing, and as a starting material for specialty chemicals and surfactant precursors used in industrial formulations; in cosmetics and personal care it is explored as a bio-based scaffold for emollients and active ingredients; in polymers and plastics it can serve as a renewable, plant-derived scaffold or additive core for modifying material properties; in coatings/inks and cleaning formulations it may be used as a precursor for functional additives and surface-active agents. Overall, its applications are largely as an intermediate or precursor in pharmaceutical, cosmetics, and specialty chemical sectors, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.96
    methanol 8.42
    isopropanol 3.03
    water 0.01
    ethyl acetate 1.91
    n-propanol 5.2
    acetone 3.45
    n-butanol 3.57
    acetonitrile 0.73
    DMF 24.45
    toluene 1.52
    isobutanol 2.57
    1,4-dioxane 13.71
    methyl acetate 1.68
    THF 24.2
    2-butanone 3.15
    n-pentanol 2.4
    sec-butanol 1.37
    n-hexane 0.1
    ethylene glycol 0.92
    NMP 11.33
    cyclohexane 0.09
    DMSO 10.1
    n-butyl acetate 2.23
    n-octanol 2.34
    chloroform 4.36
    n-propyl acetate 1.5
    acetic acid 3.41
    dichloromethane 2.53
    cyclohexanone 4.83
    propylene glycol 1.82
    isopropyl acetate 2.01
    DMAc 13.46
    2-ethoxyethanol 9.2
    isopentanol 2.24
    n-heptane 0.12
    ethyl formate 1.51
    1,2-dichloroethane 1.65
    n-hexanol 2.95
    2-methoxyethanol 18.14
    isobutyl acetate 1.49
    tetrachloromethane 0.73
    n-pentyl acetate 4.65
    transcutol 22.27
    n-heptanol 4.17
    ethylbenzene 0.86
    MIBK 2.52
    2-propoxyethanol 19.84
    tert-butanol 2.01
    MTBE 1.68
    2-butoxyethanol 16.72
    propionic acid 2.03
    o-xylene 0.94
    formic acid 2.28
    diethyl ether 2.37
    m-xylene 1.37
    p-xylene 0.87
    chlorobenzene 1.44
    dimethyl carbonate 2.69
    n-octane 0.06
    formamide 3.01
    cyclopentanone 8.26
    2-pentanone 2.97
    anisole 3.21
    cyclopentyl methyl ether 4.41
    gamma-butyrolactone 6.95
    1-methoxy-2-propanol 15.51
    pyridine 7.17
    3-pentanone 1.96
    furfural 7.49
    n-dodecane 0.03
    diethylene glycol 10.78
    diisopropyl ether 0.6
    tert-amyl alcohol 1.24
    acetylacetone 4.44
    n-hexadecane 0.03
    acetophenone 3.09
    methyl propionate 2.77
    isopentyl acetate 2.72
    trichloroethylene 4.49
    n-nonanol 2.73
    cyclohexanol 1.33
    benzyl alcohol 3.72
    2-ethylhexanol 1.41
    isooctanol 3.24
    dipropyl ether 2.12
    1,2-dichlorobenzene 1.41
    ethyl lactate 1.84
    propylene carbonate 2.75
    n-methylformamide 6.54
    2-pentanol 1.25
    n-pentane 0.1
    1-propoxy-2-propanol 11.96
    1-methoxy-2-propyl acetate 7.45
    2-(2-methoxypropoxy) propanol 8.51
    mesitylene 0.74
    ε-caprolactone 4.69
    p-cymene 0.87
    epichlorohydrin 9.5
    1,1,1-trichloroethane 1.08
    2-aminoethanol 3.72
    morpholine-4-carbaldehyde 22.1
    sulfolane 9.52
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 4.24
    n-hexyl acetate 4.49
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 14.22
    sec-butyl acetate 1.09
    tert-butyl acetate 2.79
    decalin 0.09
    glycerin 4.17
    diglyme 23.67
    acrylic acid 2.26
    isopropyl myristate 1.06
    n-butyric acid 3.22
    acetyl acetate 1.68
    di(2-ethylhexyl) phthalate 2.57
    ethyl propionate 1.41
    nitromethane 4.73
    1,2-diethoxyethane 4.7
    benzonitrile 1.87
    trioctyl phosphate 1.72
    1-bromopropane 0.78
    gamma-valerolactone 19.04
    n-decanol 1.24
    triethyl phosphate 1.24
    4-methyl-2-pentanol 1.18
    propionitrile 1.11
    vinylene carbonate 3.34
    1,1,2-trichlorotrifluoroethane 9.08
    DMS 3.25
    cumene 0.66
    2-octanol 1.71
    2-hexanone 2.01
    octyl acetate 1.75
    limonene 0.87
    1,2-dimethoxyethane 11.9
    ethyl orthosilicate 1.45
    tributyl phosphate 1.21
    diacetone alcohol 4.81
    N,N-dimethylaniline 2.74
    acrylonitrile 1.73
    aniline 2.59
    1,3-propanediol 6.25
    bromobenzene 1.18
    dibromomethane 1.5
    1,1,2,2-tetrachloroethane 3.45
    2-methyl-cyclohexyl acetate 2.3
    tetrabutyl urea 2.09
    diisobutyl methanol 1.01
    2-phenylethanol 5.0
    styrene 0.84
    dioctyl adipate 2.26
    dimethyl sulfate 4.24
    ethyl butyrate 1.64
    methyl lactate 3.73
    butyl lactate 5.69
    diethyl carbonate 0.98
    propanediol butyl ether 11.74
    triethyl orthoformate 2.18
    p-tert-butyltoluene 0.96
    methyl 4-tert-butylbenzoate 7.51
    morpholine 17.15
    tert-butylamine 0.8
    n-dodecanol 0.56
    dimethoxymethane 20.0
    ethylene carbonate 2.58
    cyrene 7.98
    2-ethoxyethyl acetate 8.86
    2-ethylhexyl acetate 1.95
    1,2,4-trichlorobenzene 2.11
    4-methylpyridine 4.26
    dibutyl ether 1.03
    2,6-dimethyl-4-heptanol 1.01
    DEF 4.03
    dimethyl isosorbide 12.94
    tetrachloroethylene 3.16
    eugenol 8.77
    triacetin 4.97
    span 80 7.49
    1,4-butanediol 2.07
    1,1-dichloroethane 1.08
    2-methyl-1-pentanol 1.62
    methyl formate 3.84
    2-methyl-1-butanol 1.87
    n-decane 0.09
    butyronitrile 1.18
    3,7-dimethyl-1-octanol 1.61
    1-chlorooctane 0.5
    1-chlorotetradecane 0.1
    n-nonane 0.07
    undecane 0.04
    tert-butylcyclohexane 0.1
    cyclooctane 0.06
    cyclopentanol 2.1
    tetrahydropyran 4.73
    tert-amyl methyl ether 1.22
    2,5,8-trioxanonane 12.62
    1-hexene 0.37
    2-isopropoxyethanol 5.43
    2,2,2-trifluoroethanol 1.43
    methyl butyrate 1.76

    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