Saponarioside B

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  • Identifiers

    CAS number
    214552-00-8

    Molecular formula
    C77H120O41

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@@H]6[C@]7(CC[C@@H]([C@@]([C@@H]7CC[C@]6([C@@]5(C[C@H]4O)C)C)(C)C=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)(C)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)OC(=O)C)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.04%
    Sweet 28.71%
    Woody 24.16%
    Cooling 21.83%
    Spicy 20.92%
    Milky 19.09%
    Vanilla 17.63%
    Savory 16.83%
    Mint 16.4%
    Warm 15.84%

     

    Flavor
    Bitter 60.47%
    Odorless 34.92%
    Fatty 33.85%
    Sweet 32.28%
    Sweet-like 29.38%
    Bland 26.38%
    Cedarleaf 21.24%
    Metallic 20.78%
    Cauliflower 20.58%
    Alkaline 20.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -4.9

    pKa est.
    -0.71 (strong acid)

    Molecular weight
    1701.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3762°C

    Flash point

    • 41.87 ˚C est.

  • Synonyms

    • Saponarioside B
    • 214552-00-8
    • SCHEMBL30661286
    • DLMZYWJEFCXXFP-JFNHGSKRSA-
    • NS00093718
    • InChI=1/C77H120O41/c1-26-54(108-29(4)80)44(89)49(94)66(105-26)112-56-28(3)107-69(60(51(56)96)116-67-50(95)45(90)55(27(2)106-67)111-65-53(98)57(34(83)24-104-65)113-63-46(91)40(85)32(81)22-102-63)118-71(101)77-18-17-72(5,6)19-31(77)30-11-12-37-73(7)15-14-39
    • 214552-00-8

  • Applications

    Saponarioside B is a glycoside saponin with surface-active properties, typically considered a natural surfactant and emulsifier. In practical applications, it may be used as a foaming and emulsifying agent in cosmetic and personal care formulations (moisturizers, shampoos, body cleansers) as well as in household cleaning products. Its surface-active character also makes it of interest in industrial formulations as a dispersant or stabilizer in polymer and plastic systems. In pharmaceutical development, Saponarioside B can serve as an excipient or formulation aid in research and product development. Use and limits are subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.21
    methanol 25.07
    isopropanol 0.8
    water 0.3
    ethyl acetate 2.62
    n-propanol 1.38
    acetone 5.07
    n-butanol 0.59
    acetonitrile 2.51
    DMF 92.77
    toluene 0.89
    isobutanol 0.5
    1,4-dioxane 10.08
    methyl acetate 4.26
    THF 16.91
    2-butanone 3.13
    n-pentanol 0.52
    sec-butanol 0.52
    n-hexane 0.03
    ethylene glycol 8.15
    NMP 82.74
    cyclohexane 0.06
    DMSO 72.31
    n-butyl acetate 0.92
    n-octanol 0.56
    chloroform 4.62
    n-propyl acetate 1.32
    acetic acid 38.46
    dichloromethane 5.12
    cyclohexanone 3.9
    propylene glycol 6.37
    isopropyl acetate 1.32
    DMAc 65.0
    2-ethoxyethanol 8.83
    isopentanol 0.32
    n-heptane 0.05
    ethyl formate 3.22
    1,2-dichloroethane 2.28
    n-hexanol 0.39
    2-methoxyethanol 22.88
    isobutyl acetate 0.56
    tetrachloromethane 0.5
    n-pentyl acetate 1.5
    transcutol 13.03
    n-heptanol 0.67
    ethylbenzene 0.28
    MIBK 0.9
    2-propoxyethanol 8.1
    tert-butanol 0.55
    MTBE 0.46
    2-butoxyethanol 5.06
    propionic acid 5.0
    o-xylene 0.61
    formic acid 63.18
    diethyl ether 0.91
    m-xylene 0.55
    p-xylene 0.37
    chlorobenzene 0.84
    dimethyl carbonate 12.66
    n-octane 0.03
    formamide 48.12
    cyclopentanone 11.87
    2-pentanone 1.91
    anisole 1.54
    cyclopentyl methyl ether 2.76
    gamma-butyrolactone 24.43
    1-methoxy-2-propanol 11.5
    pyridine 7.62
    3-pentanone 2.08
    furfural 26.55
    n-dodecane 0.02
    diethylene glycol 14.78
    diisopropyl ether 0.17
    tert-amyl alcohol 0.44
    acetylacetone 8.31
    n-hexadecane 0.02
    acetophenone 2.77
    methyl propionate 5.55
    isopentyl acetate 0.62
    trichloroethylene 8.51
    n-nonanol 0.58
    cyclohexanol 0.61
    benzyl alcohol 2.07
    2-ethylhexanol 0.21
    isooctanol 0.4
    dipropyl ether 0.74
    1,2-dichlorobenzene 0.99
    ethyl lactate 3.23
    propylene carbonate 7.2
    n-methylformamide 34.69
    2-pentanol 0.3
    n-pentane 0.04
    1-propoxy-2-propanol 4.32
    1-methoxy-2-propyl acetate 4.34
    2-(2-methoxypropoxy) propanol 4.32
    mesitylene 0.28
    ε-caprolactone 4.72
    p-cymene 0.2
    epichlorohydrin 15.28
    1,1,1-trichloroethane 1.15
    2-aminoethanol 7.1
    morpholine-4-carbaldehyde 63.1
    sulfolane 57.94
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.63
    n-hexyl acetate 1.44
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.58
    sec-butyl acetate 0.62
    tert-butyl acetate 1.34
    decalin 0.03
    glycerin 24.3
    diglyme 12.9
    acrylic acid 13.77
    isopropyl myristate 0.34
    n-butyric acid 3.14
    acetyl acetate 3.87
    di(2-ethylhexyl) phthalate 0.83
    ethyl propionate 1.46
    nitromethane 67.86
    1,2-diethoxyethane 2.01
    benzonitrile 1.48
    trioctyl phosphate 0.56
    1-bromopropane 0.48
    gamma-valerolactone 37.29
    n-decanol 0.33
    triethyl phosphate 0.87
    4-methyl-2-pentanol 0.18
    propionitrile 1.3
    vinylene carbonate 9.59
    1,1,2-trichlorotrifluoroethane 39.03
    DMS 3.49
    cumene 0.17
    2-octanol 0.33
    2-hexanone 1.07
    octyl acetate 0.71
    limonene 0.25
    1,2-dimethoxyethane 10.14
    ethyl orthosilicate 0.7
    tributyl phosphate 0.48
    diacetone alcohol 3.87
    N,N-dimethylaniline 1.54
    acrylonitrile 4.34
    aniline 1.63
    1,3-propanediol 4.55
    bromobenzene 0.75
    dibromomethane 1.68
    1,1,2,2-tetrachloroethane 5.92
    2-methyl-cyclohexyl acetate 0.85
    tetrabutyl urea 1.08
    diisobutyl methanol 0.14
    2-phenylethanol 1.44
    styrene 0.37
    dioctyl adipate 0.99
    dimethyl sulfate 32.75
    ethyl butyrate 1.01
    methyl lactate 13.72
    butyl lactate 2.41
    diethyl carbonate 0.85
    propanediol butyl ether 6.22
    triethyl orthoformate 1.26
    p-tert-butyltoluene 0.23
    methyl 4-tert-butylbenzoate 3.71
    morpholine 11.02
    tert-butylamine 0.16
    n-dodecanol 0.2
    dimethoxymethane 29.35
    ethylene carbonate 5.04
    cyrene 13.44
    2-ethoxyethyl acetate 4.45
    2-ethylhexyl acetate 0.49
    1,2,4-trichlorobenzene 1.77
    4-methylpyridine 3.5
    dibutyl ether 0.36
    2,6-dimethyl-4-heptanol 0.14
    DEF 6.08
    dimethyl isosorbide 9.65
    tetrachloroethylene 4.09
    eugenol 3.98
    triacetin 4.96
    span 80 4.22
    1,4-butanediol 2.34
    1,1-dichloroethane 1.13
    2-methyl-1-pentanol 0.28
    methyl formate 32.96
    2-methyl-1-butanol 0.36
    n-decane 0.05
    butyronitrile 0.64
    3,7-dimethyl-1-octanol 0.28
    1-chlorooctane 0.19
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.04
    cyclopentanol 1.39
    tetrahydropyran 1.92
    tert-amyl methyl ether 0.54
    2,5,8-trioxanonane 8.49
    1-hexene 0.1
    2-isopropoxyethanol 3.46
    2,2,2-trifluoroethanol 16.51
    methyl butyrate 1.81

    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