Sarsasapogenin

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  • Identifiers

    CAS number
    126-19-2

    Molecular formula
    C27H44O3

    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[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Woody 66.62%
    Herbal 47.38%
    Spicy 40.06%
    Amber 38.72%
    Floral 38.4%
    Sweet 36.24%
    Balsamic 36.17%
    Earthy 36.13%
    Fresh 36.04%
    Sandalwood 32.94%

     

    Flavor
    Earthy 41.82%
    Sweet 33.28%
    Spicy 30.71%
    Fruity 30.48%
    Fruit 29.74%
    Herbal 29.61%
    Earth 27.1%
    Herb 25.81%
    Fresh 25.65%
    Beet 24.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    6.23 (neutral)

    Molecular weight
    416.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    247°C

    Melting point expt.

    • 200 - 201.5 °C

    Flash point

    • 205.15 ˚C est.

  • Synonyms

    • Sarsasapogenin
    • 126-19-2
    • Parigenin
    • Sarsagenin
    • (25S)-5beta-Spirostan-3beta-ol
    • Spirostan-3-ol, (3beta,5beta,25S)-
    • CFS802C28F
    • NSC 1615
    • PURE SARSASAPOGENIN
    • (3beta,5beta,25S)-spirostan-3-ol
    • CHEBI:15578
    • DTXSID00903921
    • NSC-1615
    • (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
    • sarsagenina
    • sarsagenine
    • sarsageninum
    • (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-16-ol
    • RefChem:931315
    • DTXCID501331881
    • 204-776-3
    • sarsapogenin
    • Sarsagenin [INN]
    • Sarsasapogenenin
    • MFCD00270414
    • Sasarasapogenin
    • (2aR,2'R,4S,5'S,6aS,6bS,8aS,8bR,9S,11aS,12aS,12bR)-5',6a,8a,9-Tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-ol
    • Sarsapogenine
    • Parigenin;Sarsagenin
    • (2aR,4S,5'S,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-ol
    • SR-05000002243
    • Spirostan-3-ol, (3b,5b,25S)-
    • cogan
    • sarsasopogenin
    • UNII-CFS802C28F
    • Sarsasapogenine
    • PYM50028
    • (25S)-5-beta-spirostan-3-beta-ol
    • EINECS 204-776-3
    • Sarsasapogenin, 95%
    • Sarsasapogenin, >=98%
    • SARSASAPOGENIN [MI]
    • Sarsapogenin (Sarsasapogenin)
    • SCHEMBL180164
    • orb1305096
    • CHEMBL1171146
    • GTPL13593
    • HY-N0073
    • (3?,5?,25S)-Spirostan-3-ol
    • BDBM50442865
    • LMST01080007
    • s3607
    • 5beta-Spirostan-3beta-ol, (25S)-
    • AKOS015960455
    • Spirostan-3-ol, (3ss,5ss,25S)-
    • CCG-208441
    • CS-7949
    • EBC-618396
    • FS66596
    • AC-11191
    • AC-33951
    • AS-77870
    • Spirostan-3-ol, (3|A,5|A,25S)-
    • A3192
    • NS00079370
    • Spirostan-3-ol, (3.beta.,5.beta.,25S)-
    • C03963
    • Spirostan-3-ol, (3beta,5beta,25S)- (9CI)
    • (3.BETA.,5.BETA.,25S)-SPIROSTAN-3-OL
    • Q7424590
    • SR-05000002243-2
    • SR-05000002243-3
    • SR-05000002243-4
    • BRD-K62277907-001-01-6
    • (1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0?,?.0?,?.0??,??]icosane]-16'-ol
    • (1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-16'-ol
    • 126-19-2

  • Applications

    Sarsasapogenin (CAS 126-19-2) is primarily used as a steroidal sapogenin intermediate in the synthesis of steroid compounds and hormones, and as a building block for semi-synthetic steroid derivatives; in the cosmetic and personal care sector, sapogenin-derived derivatives based on sarsasapogenin are studied as natural-origin ingredients; in research and development, it serves as a chiral scaffold and foundation for specialty chemicals and materials, including polymer-related applications; additionally, sarsasapogenin may be considered a starting material for intermediate manufacturing or as a basis for other industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.3
    methanol 9.22
    isopropanol 11.32
    water 0.91
    ethyl acetate 42.05
    n-propanol 20.4
    acetone 41.97
    n-butanol 31.83
    acetonitrile 47.34
    DMF 28.83
    toluene 71.66
    isobutanol 16.34
    1,4-dioxane 80.42
    methyl acetate 27.1
    THF 167.6
    2-butanone 36.75
    n-pentanol 25.99
    sec-butanol 4.45
    n-hexane 1.37
    ethylene glycol 3.0
    NMP 60.5
    cyclohexane 4.15
    DMSO 34.43
    n-butyl acetate 48.95
    n-octanol 17.84
    chloroform 137.57
    n-propyl acetate 35.56
    acetic acid 29.51
    dichloromethane 92.96
    cyclohexanone 94.35
    propylene glycol 3.03
    isopropyl acetate 49.95
    DMAc 51.26
    2-ethoxyethanol 44.14
    isopentanol 30.32
    n-heptane 1.98
    ethyl formate 24.59
    1,2-dichloroethane 54.96
    n-hexanol 32.38
    2-methoxyethanol 43.09
    isobutyl acetate 40.54
    tetrachloromethane 22.11
    n-pentyl acetate 52.09
    transcutol 134.58
    n-heptanol 29.58
    ethylbenzene 23.29
    MIBK 50.97
    2-propoxyethanol 85.86
    tert-butanol 9.2
    MTBE 12.57
    2-butoxyethanol 72.26
    propionic acid 18.39
    o-xylene 32.74
    formic acid 10.86
    diethyl ether 27.5
    m-xylene 49.06
    p-xylene 28.97
    chlorobenzene 78.26
    dimethyl carbonate 27.16
    n-octane 0.73
    formamide 17.97
    cyclopentanone 101.46
    2-pentanone 50.4
    anisole 51.13
    cyclopentyl methyl ether 60.93
    gamma-butyrolactone 101.99
    1-methoxy-2-propanol 42.68
    pyridine 102.15
    3-pentanone 39.06
    furfural 100.52
    n-dodecane 0.87
    diethylene glycol 41.21
    diisopropyl ether 13.03
    tert-amyl alcohol 5.07
    acetylacetone 72.2
    n-hexadecane 1.1
    acetophenone 57.82
    methyl propionate 36.67
    isopentyl acetate 57.75
    trichloroethylene 114.69
    n-nonanol 22.28
    cyclohexanol 22.45
    benzyl alcohol 45.74
    2-ethylhexanol 23.87
    isooctanol 26.07
    dipropyl ether 26.6
    1,2-dichlorobenzene 67.3
    ethyl lactate 24.63
    propylene carbonate 55.96
    n-methylformamide 22.78
    2-pentanol 12.48
    n-pentane 1.71
    1-propoxy-2-propanol 56.11
    1-methoxy-2-propyl acetate 78.56
    2-(2-methoxypropoxy) propanol 49.55
    mesitylene 26.11
    ε-caprolactone 82.3
    p-cymene 20.23
    epichlorohydrin 110.08
    1,1,1-trichloroethane 50.76
    2-aminoethanol 8.93
    morpholine-4-carbaldehyde 86.63
    sulfolane 83.03
    2,2,4-trimethylpentane 1.22
    2-methyltetrahydrofuran 52.31
    n-hexyl acetate 52.71
    isooctane 1.65
    2-(2-butoxyethoxy)ethanol 69.74
    sec-butyl acetate 31.94
    tert-butyl acetate 48.88
    decalin 3.25
    glycerin 9.84
    diglyme 121.63
    acrylic acid 19.88
    isopropyl myristate 23.57
    n-butyric acid 52.49
    acetyl acetate 50.26
    di(2-ethylhexyl) phthalate 30.54
    ethyl propionate 35.14
    nitromethane 55.38
    1,2-diethoxyethane 45.28
    benzonitrile 65.68
    trioctyl phosphate 21.75
    1-bromopropane 27.35
    gamma-valerolactone 160.02
    n-decanol 14.87
    triethyl phosphate 25.71
    4-methyl-2-pentanol 16.44
    propionitrile 39.82
    vinylene carbonate 69.27
    1,1,2-trichlorotrifluoroethane 57.97
    DMS 35.61
    cumene 17.32
    2-octanol 13.26
    2-hexanone 36.24
    octyl acetate 29.12
    limonene 19.28
    1,2-dimethoxyethane 63.78
    ethyl orthosilicate 27.01
    tributyl phosphate 21.4
    diacetone alcohol 41.24
    N,N-dimethylaniline 32.84
    acrylonitrile 46.6
    aniline 56.57
    1,3-propanediol 23.79
    bromobenzene 84.81
    dibromomethane 65.0
    1,1,2,2-tetrachloroethane 78.81
    2-methyl-cyclohexyl acetate 44.58
    tetrabutyl urea 27.95
    diisobutyl methanol 15.33
    2-phenylethanol 59.29
    styrene 28.24
    dioctyl adipate 34.9
    dimethyl sulfate 36.25
    ethyl butyrate 42.59
    methyl lactate 23.73
    butyl lactate 41.9
    diethyl carbonate 29.72
    propanediol butyl ether 35.76
    triethyl orthoformate 39.84
    p-tert-butyltoluene 17.97
    methyl 4-tert-butylbenzoate 60.53
    morpholine 74.0
    tert-butylamine 6.51
    n-dodecanol 9.82
    dimethoxymethane 62.78
    ethylene carbonate 63.64
    cyrene 55.44
    2-ethoxyethyl acetate 73.83
    2-ethylhexyl acetate 46.84
    1,2,4-trichlorobenzene 75.82
    4-methylpyridine 87.84
    dibutyl ether 16.54
    2,6-dimethyl-4-heptanol 15.33
    DEF 41.88
    dimethyl isosorbide 90.09
    tetrachloroethylene 57.55
    eugenol 61.74
    triacetin 56.85
    span 80 42.23
    1,4-butanediol 11.81
    1,1-dichloroethane 43.33
    2-methyl-1-pentanol 22.6
    methyl formate 17.89
    2-methyl-1-butanol 19.09
    n-decane 1.77
    butyronitrile 43.41
    3,7-dimethyl-1-octanol 19.25
    1-chlorooctane 9.61
    1-chlorotetradecane 3.65
    n-nonane 1.25
    undecane 1.19
    tert-butylcyclohexane 2.36
    cyclooctane 2.13
    cyclopentanol 19.1
    tetrahydropyran 64.62
    tert-amyl methyl ether 11.29
    2,5,8-trioxanonane 77.88
    1-hexene 6.31
    2-isopropoxyethanol 35.7
    2,2,2-trifluoroethanol 20.78
    methyl butyrate 38.51

    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