Soyasapogenol B

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  • Identifiers

    CAS number
    595-15-3

    Molecular formula
    C30H50O3

    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[C@H]5O)(C)C)C)C)C)(C)CO)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.14%
    Amber 57.09%
    Sandalwood 49.68%
    Dry 48.62%
    Cedar 47.95%
    Balsamic 46.02%
    Sweet 43.04%
    Musk 41.78%
    Earthy 39.96%
    Spicy 38.07%

     

    Flavor
    Woody 71.01%
    Camphor 55.44%
    Pine 53.8%
    Sweet 52.53%
    Earthy 50.45%
    Balsam 48.36%
    Herbal 46.45%
    Spicy 41.56%
    Earth 40.0%
    Dry 36.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    7.27 (neutral)

    Molecular weight
    458.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    107°C

    Melting point expt.

    • 258 - 259 °C

    Flash point

    • 268.47 ˚C est.

  • Synonyms

    • Soyasapogenol B
    • 595-15-3
    • 24-hydroxysophoradiol
    • (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
    • 1EZ10D7E2F
    • CHEBI:9209
    • DTXSID10276153
    • (3beta,22beta)-olean-12-ene-3,22,24-triol
    • Olean-12-ene-3,22,23-triol, (3beta,4beta,22beta)-
    • RefChem:50253
    • DTXCID40227496
    • Olean-12-ene-3,22,24-triol, (3beta,22beta)-
    • SOYASAPOGENOL B(P)
    • soyasapogenin B
    • soyasapogenol-B
    • SOYASAPOGENOL I
    • 4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
    • UNII-1EZ10D7E2F
    • Soyasapogenol M2
    • SOYASAPOGENIN
    • SCHEMBL398310
    • orb1297205
    • CHEMBL1762007
    • YOQAQNKGFOLRGT-UXXABWCISA-N
    • HY-N6074
    • MSK40383
    • Soyasapogenol B, >=98% (HPLC)
    • AKOS032962063
    • EBC-521798
    • FS42669
    • (3S,4S,4AR,6AR,6BS,8AR,9R,12AS,14AR,14BR)-4-(HYDROXYMETHYL)-4,6A,6B,8A,11,11,14B-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-ICOSAHYDROPICENE-3,9-DIOL
    • DA-58023
    • MS-28400
    • OLEAN-12-ENE-3beta,22beta,24-TRIOL
    • CS-0032502
    • C08980
    • OLEAN-12-EN-3.BETA.,22.BETA.,24-TRIOL
    • OLEAN-12-ENE-3.BETA.,22.BETA.,24-TRIOL
    • (3|A,4|A,22|A)-Olean-12-ene-3,22,23-triol
    • (3beta,4beta,22beta)-Olean-12-ene-3,22,23-triol
    • 3.BETA.,22.BETA.,24-TRIHYDROXYOLEAN-12-ENE
    • Q27108312
    • OLEAN-12-ENE-3,22,23-TRIOL, (3.BETA.,4.BETA.,22.BETA.)-
    • 595-15-3

  • Applications

    Soyasapogenol B (CAS 595-15-3) is a plant-derived steroidal sapogenin that is primarily used as a synthetic precursor and building block for steroid derivatives in pharmaceutical and agrochemical applications. In cosmetics and personal care, it is being evaluated as a precursor for bioactive steroidal derivatives and skin-related ingredients. In materials science, it can serve as a chiral building block for functional steroid-based polymers and coatings, and is studied as an intermediate for compounds with applications in coatings and inks. At the industrial level, its main role is as an intermediate for the synthesis of sapogenin-related compounds and derivatives, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.59
    methanol 4.87
    isopropanol 4.42
    water 0.01
    ethyl acetate 3.9
    n-propanol 7.83
    acetone 5.08
    n-butanol 7.12
    acetonitrile 1.29
    DMF 27.48
    toluene 4.55
    isobutanol 4.96
    1,4-dioxane 18.89
    methyl acetate 3.06
    THF 35.29
    2-butanone 6.12
    n-pentanol 4.91
    sec-butanol 2.69
    n-hexane 0.22
    ethylene glycol 0.62
    NMP 17.82
    cyclohexane 0.2
    DMSO 8.88
    n-butyl acetate 4.76
    n-octanol 4.12
    chloroform 10.87
    n-propyl acetate 3.18
    acetic acid 3.44
    dichloromethane 5.36
    cyclohexanone 9.47
    propylene glycol 1.58
    isopropyl acetate 4.28
    DMAc 19.83
    2-ethoxyethanol 10.86
    isopentanol 4.9
    n-heptane 0.28
    ethyl formate 2.1
    1,2-dichloroethane 3.63
    n-hexanol 5.65
    2-methoxyethanol 15.67
    isobutyl acetate 3.59
    tetrachloromethane 1.75
    n-pentyl acetate 8.33
    transcutol 30.41
    n-heptanol 7.1
    ethylbenzene 2.32
    MIBK 5.47
    2-propoxyethanol 26.17
    tert-butanol 3.46
    MTBE 3.63
    2-butoxyethanol 21.85
    propionic acid 2.86
    o-xylene 2.41
    formic acid 1.59
    diethyl ether 4.81
    m-xylene 3.59
    p-xylene 2.3
    chlorobenzene 4.12
    dimethyl carbonate 4.12
    n-octane 0.11
    formamide 2.27
    cyclopentanone 14.24
    2-pentanone 6.15
    anisole 7.19
    cyclopentyl methyl ether 8.93
    gamma-butyrolactone 10.91
    1-methoxy-2-propanol 18.98
    pyridine 13.31
    3-pentanone 4.55
    furfural 10.77
    n-dodecane 0.05
    diethylene glycol 10.91
    diisopropyl ether 1.43
    tert-amyl alcohol 2.44
    acetylacetone 7.46
    n-hexadecane 0.06
    acetophenone 6.36
    methyl propionate 5.4
    isopentyl acetate 6.23
    trichloroethylene 9.72
    n-nonanol 4.81
    cyclohexanol 3.01
    benzyl alcohol 6.74
    2-ethylhexanol 3.29
    isooctanol 5.72
    dipropyl ether 4.73
    1,2-dichlorobenzene 3.83
    ethyl lactate 3.25
    propylene carbonate 4.79
    n-methylformamide 6.08
    2-pentanol 2.84
    n-pentane 0.23
    1-propoxy-2-propanol 18.33
    1-methoxy-2-propyl acetate 13.05
    2-(2-methoxypropoxy) propanol 12.87
    mesitylene 1.93
    ε-caprolactone 8.8
    p-cymene 2.09
    epichlorohydrin 14.15
    1,1,1-trichloroethane 3.18
    2-aminoethanol 2.98
    morpholine-4-carbaldehyde 28.49
    sulfolane 13.45
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 8.54
    n-hexyl acetate 8.46
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 19.59
    sec-butyl acetate 2.74
    tert-butyl acetate 5.76
    decalin 0.24
    glycerin 3.36
    diglyme 31.84
    acrylic acid 2.74
    isopropyl myristate 2.33
    n-butyric acid 5.42
    acetyl acetate 3.19
    di(2-ethylhexyl) phthalate 4.64
    ethyl propionate 3.25
    nitromethane 5.25
    1,2-diethoxyethane 7.78
    benzonitrile 4.1
    trioctyl phosphate 3.21
    1-bromopropane 2.06
    gamma-valerolactone 26.2
    n-decanol 2.32
    triethyl phosphate 2.82
    4-methyl-2-pentanol 2.64
    propionitrile 2.41
    vinylene carbonate 5.64
    1,1,2-trichlorotrifluoroethane 11.85
    DMS 5.53
    cumene 1.73
    2-octanol 3.1
    2-hexanone 4.45
    octyl acetate 3.51
    limonene 2.13
    1,2-dimethoxyethane 15.95
    ethyl orthosilicate 3.31
    tributyl phosphate 2.47
    diacetone alcohol 8.25
    N,N-dimethylaniline 5.94
    acrylonitrile 3.06
    aniline 5.89
    1,3-propanediol 6.07
    bromobenzene 3.77
    dibromomethane 3.5
    1,1,2,2-tetrachloroethane 7.94
    2-methyl-cyclohexyl acetate 5.01
    tetrabutyl urea 4.08
    diisobutyl methanol 2.29
    2-phenylethanol 9.16
    styrene 2.32
    dioctyl adipate 4.56
    dimethyl sulfate 6.46
    ethyl butyrate 3.86
    methyl lactate 4.95
    butyl lactate 8.89
    diethyl carbonate 2.32
    propanediol butyl ether 14.49
    triethyl orthoformate 4.82
    p-tert-butyltoluene 2.27
    methyl 4-tert-butylbenzoate 12.74
    morpholine 24.26
    tert-butylamine 1.73
    n-dodecanol 1.1
    dimethoxymethane 23.35
    ethylene carbonate 4.5
    cyrene 12.07
    2-ethoxyethyl acetate 13.64
    2-ethylhexyl acetate 4.76
    1,2,4-trichlorobenzene 5.62
    4-methylpyridine 9.57
    dibutyl ether 2.13
    2,6-dimethyl-4-heptanol 2.29
    DEF 7.72
    dimethyl isosorbide 20.1
    tetrachloroethylene 6.05
    eugenol 14.02
    triacetin 8.38
    span 80 11.39
    1,4-butanediol 2.28
    1,1-dichloroethane 2.86
    2-methyl-1-pentanol 3.62
    methyl formate 3.67
    2-methyl-1-butanol 4.14
    n-decane 0.16
    butyronitrile 2.81
    3,7-dimethyl-1-octanol 3.22
    1-chlorooctane 1.04
    1-chlorotetradecane 0.22
    n-nonane 0.14
    undecane 0.08
    tert-butylcyclohexane 0.27
    cyclooctane 0.14
    cyclopentanol 3.87
    tetrahydropyran 9.69
    tert-amyl methyl ether 2.76
    2,5,8-trioxanonane 18.0
    1-hexene 0.92
    2-isopropoxyethanol 7.97
    2,2,2-trifluoroethanol 1.62
    methyl butyrate 3.85

    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