(3I(2),5I+/-,24S,25S)-3-[(6-O-I+/--L-Arabinopyranosyl-I(2)-D-glucopyranosyl)oxy]-24-(I(2)-D-glucopyranosyloxy)spirostan-6-one

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  • Identifiers

    CAS number
    200483-13-2

    Molecular formula
    C44H70O19

    SMILES
    C[C@H]1CO[C@@]2(C[C@@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]([C@H]4[C@@H](O2)C[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC(=O)[C@@H]7[C@@]6(CC[C@@H](C7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)O)O)O)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.38%
    Woody 33.3%
    Sweet 32.05%
    Spicy 28.17%
    Cooling 23.79%
    Mint 20.64%
    Warm 19.13%
    Vanilla 18.93%
    Milky 17.52%
    Balsamic 17.33%

     

    Flavor
    Bitter 52.09%
    Fatty 41.83%
    Sweet 35.65%
    Odorless 30.38%
    Sweet-like 28.31%
    Metallic 23.37%
    Bland 21.97%
    Cauliflower 21.7%
    Cedarleaf 21.22%
    Alkaline 21.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    4.21 (weak acid)

    Molecular weight
    903.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2179°C

    Flash point

    • 227.67 ˚C est.

  • Synonyms

    • DTXSID601108572
    • (3I(2),5I+/-,24S,25S)-3-[(6-O-I+/--L-Arabinopyranosyl-I(2)-D-glucopyranosyl)oxy]-24-(I(2)-D-glucopyranosyloxy)spirostan-6-one
    • 200483-13-2
    • 200483-13-2

  • Applications

    For the compound (3I(2),5I+/-,24S,25S)-3-[(6-O-I+/--L-Arabinopyranosyl-I(2)-D-glucopyranosyl)oxy]-24-(I(2)-D-glucopyranosyloxy)spirostan-6-one (CAS 200483-13-2), a steroidal glycoside saponin, its surface-active properties indicate potential as a surfactant and emulsifier. Real-world uses are typically explored in cosmetics and personal care as a surfactant, emulsifier, and emulsion stabilizer; in household cleaning products as a foaming agent and cleaning aid; in coatings and inks as a wetting/dispersing additive; in polymers/plastics as an emulsion stabilizer or compatibilizer for dispersed phases; and in pharmaceutical development as a synthetic intermediate or glycoside building block, subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.73
    methanol 16.16
    isopropanol 0.47
    water 0.27
    ethyl acetate 1.43
    n-propanol 0.97
    acetone 3.54
    n-butanol 0.5
    acetonitrile 1.27
    DMF 26.89
    toluene 0.33
    isobutanol 0.34
    1,4-dioxane 6.9
    methyl acetate 1.77
    THF 11.86
    2-butanone 1.82
    n-pentanol 0.43
    sec-butanol 0.29
    n-hexane 0.01
    ethylene glycol 4.63
    NMP 29.28
    cyclohexane 0.03
    DMSO 48.47
    n-butyl acetate 0.68
    n-octanol 0.69
    chloroform 2.01
    n-propyl acetate 0.77
    acetic acid 25.75
    dichloromethane 2.22
    cyclohexanone 3.42
    propylene glycol 2.59
    isopropyl acetate 0.93
    DMAc 22.95
    2-ethoxyethanol 7.33
    isopentanol 0.27
    n-heptane 0.02
    ethyl formate 2.28
    1,2-dichloroethane 1.05
    n-hexanol 0.37
    2-methoxyethanol 17.51
    isobutyl acetate 0.41
    tetrachloromethane 0.28
    n-pentyl acetate 1.7
    transcutol 13.85
    n-heptanol 0.83
    ethylbenzene 0.13
    MIBK 0.8
    2-propoxyethanol 6.81
    tert-butanol 0.29
    MTBE 0.25
    2-butoxyethanol 6.3
    propionic acid 2.62
    o-xylene 0.23
    formic acid 41.45
    diethyl ether 0.54
    m-xylene 0.24
    p-xylene 0.16
    chlorobenzene 0.46
    dimethyl carbonate 4.44
    n-octane 0.02
    formamide 29.08
    cyclopentanone 7.49
    2-pentanone 1.45
    anisole 0.77
    cyclopentyl methyl ether 1.55
    gamma-butyrolactone 11.49
    1-methoxy-2-propanol 7.02
    pyridine 3.91
    3-pentanone 1.12
    furfural 18.5
    n-dodecane 0.01
    diethylene glycol 10.5
    diisopropyl ether 0.11
    tert-amyl alcohol 0.25
    acetylacetone 5.77
    n-hexadecane 0.02
    acetophenone 1.48
    methyl propionate 2.21
    isopentyl acetate 0.6
    trichloroethylene 3.55
    n-nonanol 0.75
    cyclohexanol 0.37
    benzyl alcohol 1.4
    2-ethylhexanol 0.21
    isooctanol 0.49
    dipropyl ether 0.45
    1,2-dichlorobenzene 0.51
    ethyl lactate 1.71
    propylene carbonate 4.2
    n-methylformamide 14.02
    2-pentanol 0.19
    n-pentane 0.01
    1-propoxy-2-propanol 3.01
    1-methoxy-2-propyl acetate 2.91
    2-(2-methoxypropoxy) propanol 4.0
    mesitylene 0.13
    ε-caprolactone 3.89
    p-cymene 0.15
    epichlorohydrin 10.17
    1,1,1-trichloroethane 0.48
    2-aminoethanol 4.59
    morpholine-4-carbaldehyde 34.15
    sulfolane 30.87
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.65
    n-hexyl acetate 1.7
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.68
    sec-butyl acetate 0.42
    tert-butyl acetate 0.88
    decalin 0.01
    glycerin 11.74
    diglyme 13.33
    acrylic acid 6.44
    isopropyl myristate 0.39
    n-butyric acid 2.53
    acetyl acetate 2.48
    di(2-ethylhexyl) phthalate 0.98
    ethyl propionate 0.71
    nitromethane 34.17
    1,2-diethoxyethane 1.84
    benzonitrile 1.13
    trioctyl phosphate 0.63
    1-bromopropane 0.23
    gamma-valerolactone 30.59
    n-decanol 0.41
    triethyl phosphate 0.55
    4-methyl-2-pentanol 0.14
    propionitrile 0.62
    vinylene carbonate 6.05
    1,1,2-trichlorotrifluoroethane 20.97
    DMS 1.95
    cumene 0.09
    2-octanol 0.36
    2-hexanone 0.76
    octyl acetate 0.82
    limonene 0.18
    1,2-dimethoxyethane 7.27
    ethyl orthosilicate 0.46
    tributyl phosphate 0.5
    diacetone alcohol 2.67
    N,N-dimethylaniline 0.63
    acrylonitrile 1.85
    aniline 0.84
    1,3-propanediol 4.19
    bromobenzene 0.35
    dibromomethane 0.81
    1,1,2,2-tetrachloroethane 2.15
    2-methyl-cyclohexyl acetate 0.68
    tetrabutyl urea 0.97
    diisobutyl methanol 0.13
    2-phenylethanol 1.29
    styrene 0.17
    dioctyl adipate 1.09
    dimethyl sulfate 11.22
    ethyl butyrate 0.66
    methyl lactate 6.22
    butyl lactate 2.47
    diethyl carbonate 0.47
    propanediol butyl ether 6.19
    triethyl orthoformate 0.78
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 3.1
    morpholine 6.8
    tert-butylamine 0.08
    n-dodecanol 0.23
    dimethoxymethane 12.8
    ethylene carbonate 3.32
    cyrene 8.65
    2-ethoxyethyl acetate 4.81
    2-ethylhexyl acetate 0.45
    1,2,4-trichlorobenzene 0.86
    4-methylpyridine 1.89
    dibutyl ether 0.31
    2,6-dimethyl-4-heptanol 0.13
    DEF 3.39
    dimethyl isosorbide 7.54
    tetrachloroethylene 1.96
    eugenol 3.7
    triacetin 4.13
    span 80 4.04
    1,4-butanediol 1.81
    1,1-dichloroethane 0.5
    2-methyl-1-pentanol 0.25
    methyl formate 12.85
    2-methyl-1-butanol 0.27
    n-decane 0.03
    butyronitrile 0.47
    3,7-dimethyl-1-octanol 0.32
    1-chlorooctane 0.16
    1-chlorotetradecane 0.05
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.78
    tetrahydropyran 1.38
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 8.4
    1-hexene 0.04
    2-isopropoxyethanol 2.88
    2,2,2-trifluoroethanol 10.69
    methyl butyrate 1.03

    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