NSC-698790;Smilax saponin B

Overview IFRA Request a quote

  • Identifiers

    CAS number
    60478-70-8

    Molecular formula
    C52H86O22

    SMILES
    CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.18%
    Sweet 29.57%
    Woody 26.81%
    Cooling 24.17%
    Mint 20.66%
    Spicy 19.35%
    Milky 19.27%
    Vanilla 17.82%
    Warm 17.29%
    Amber 16.99%

     

    Flavor
    Bitter 44.76%
    Sweet 41.2%
    Fatty 38.29%
    Odorless 34.83%
    Sweet-like 28.73%
    Metallic 22.64%
    Bland 21.8%
    Cauliflower 21.68%
    Mentholic 21.18%
    Cedarleaf 21.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    3.95 (weak acid)

    Molecular weight
    1063.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2889°C

    Flash point

    • 204.13 ˚C est.

  • Synonyms

    • 60478-70-8
    • NSC-698790;Smilax saponin B
    • 2-[4-Hydroxy-2-(hydroxymethyl)-6-[[6-methoxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
    • NSC698790
    • NSC698791
    • Yamogenintetroside B
    • Neuro_000495
    • AC-34335
    • 522M520
    • 2-[4-hydroxy-2-(hydroxymethyl)-6-[methoxy-trimethyl-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butyl][?]yl]oxy-5-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
    • 26-(Hexopyranosyloxy)-22-methoxyfurost-5-en-3-yl 2,4-bis-O-(6-deoxyhexopyranosyl)hexopyranoside
    • 60478-70-8

  • Applications

    NSC-698790;Smilax saponin B (CAS 60478-70-8) is a natural steroidal saponin commonly viewed as a surfactant or emulsifier in formulation systems. Potential real-world applications include: (1) cosmetics and personal care products (cleansers, emulsions, shampoos) serving as a surface-active agent and emulsifier; (2) household cleaning products and detergents leveraging foaming and wetting properties; (3) coatings and inks where it can act as an emulsifier or stabilizer for pigment dispersions; (4) polymers and plastics as a compatibilizer or processing aid to improve dispersion and formulation stability; (5) agriculture as a surfactant or adjuvant in agrochemical formulations to enhance spray wetting and spread. Use in practice will depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.97
    methanol 12.4
    isopropanol 0.29
    water 0.25
    ethyl acetate 1.3
    n-propanol 0.65
    acetone 2.37
    n-butanol 0.35
    acetonitrile 1.07
    DMF 27.16
    toluene 0.39
    isobutanol 0.26
    1,4-dioxane 5.92
    methyl acetate 1.68
    THF 7.94
    2-butanone 1.42
    n-pentanol 0.36
    sec-butanol 0.21
    n-hexane 0.01
    ethylene glycol 3.23
    NMP 32.78
    cyclohexane 0.03
    DMSO 35.93
    n-butyl acetate 0.68
    n-octanol 0.64
    chloroform 2.37
    n-propyl acetate 0.75
    acetic acid 21.08
    dichloromethane 2.75
    cyclohexanone 2.85
    propylene glycol 2.02
    isopropyl acetate 0.82
    DMAc 24.03
    2-ethoxyethanol 6.22
    isopentanol 0.23
    n-heptane 0.03
    ethyl formate 1.91
    1,2-dichloroethane 1.09
    n-hexanol 0.31
    2-methoxyethanol 12.46
    isobutyl acetate 0.44
    tetrachloromethane 0.3
    n-pentyl acetate 1.78
    transcutol 13.49
    n-heptanol 0.75
    ethylbenzene 0.17
    MIBK 0.68
    2-propoxyethanol 5.61
    tert-butanol 0.21
    MTBE 0.25
    2-butoxyethanol 5.95
    propionic acid 2.44
    o-xylene 0.29
    formic acid 38.44
    diethyl ether 0.47
    m-xylene 0.29
    p-xylene 0.22
    chlorobenzene 0.54
    dimethyl carbonate 5.04
    n-octane 0.02
    formamide 25.65
    cyclopentanone 6.05
    2-pentanone 1.1
    anisole 1.0
    cyclopentyl methyl ether 1.47
    gamma-butyrolactone 10.21
    1-methoxy-2-propanol 5.42
    pyridine 3.79
    3-pentanone 1.0
    furfural 18.87
    n-dodecane 0.01
    diethylene glycol 8.43
    diisopropyl ether 0.11
    tert-amyl alcohol 0.22
    acetylacetone 4.98
    n-hexadecane 0.02
    acetophenone 1.81
    methyl propionate 2.22
    isopentyl acetate 0.58
    trichloroethylene 4.0
    n-nonanol 0.7
    cyclohexanol 0.34
    benzyl alcohol 1.39
    2-ethylhexanol 0.2
    isooctanol 0.47
    dipropyl ether 0.48
    1,2-dichlorobenzene 0.69
    ethyl lactate 1.81
    propylene carbonate 3.95
    n-methylformamide 12.51
    2-pentanol 0.16
    n-pentane 0.01
    1-propoxy-2-propanol 2.93
    1-methoxy-2-propyl acetate 3.02
    2-(2-methoxypropoxy) propanol 4.28
    mesitylene 0.17
    ε-caprolactone 3.62
    p-cymene 0.18
    epichlorohydrin 8.38
    1,1,1-trichloroethane 0.54
    2-aminoethanol 3.37
    morpholine-4-carbaldehyde 37.0
    sulfolane 28.96
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.32
    n-hexyl acetate 1.71
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.44
    sec-butyl acetate 0.42
    tert-butyl acetate 0.89
    decalin 0.02
    glycerin 10.02
    diglyme 14.61
    acrylic acid 6.72
    isopropyl myristate 0.39
    n-butyric acid 2.03
    acetyl acetate 2.55
    di(2-ethylhexyl) phthalate 1.04
    ethyl propionate 0.76
    nitromethane 33.66
    1,2-diethoxyethane 1.74
    benzonitrile 1.18
    trioctyl phosphate 0.65
    1-bromopropane 0.24
    gamma-valerolactone 27.77
    n-decanol 0.37
    triethyl phosphate 0.7
    4-methyl-2-pentanol 0.12
    propionitrile 0.55
    vinylene carbonate 6.26
    1,1,2-trichlorotrifluoroethane 23.25
    DMS 2.25
    cumene 0.12
    2-octanol 0.34
    2-hexanone 0.71
    octyl acetate 0.81
    limonene 0.19
    1,2-dimethoxyethane 6.86
    ethyl orthosilicate 0.61
    tributyl phosphate 0.52
    diacetone alcohol 2.24
    N,N-dimethylaniline 0.86
    acrylonitrile 1.79
    aniline 0.82
    1,3-propanediol 2.66
    bromobenzene 0.46
    dibromomethane 0.91
    1,1,2,2-tetrachloroethane 2.39
    2-methyl-cyclohexyl acetate 0.74
    tetrabutyl urea 1.02
    diisobutyl methanol 0.12
    2-phenylethanol 1.28
    styrene 0.22
    dioctyl adipate 1.12
    dimethyl sulfate 13.68
    ethyl butyrate 0.7
    methyl lactate 5.83
    butyl lactate 2.55
    diethyl carbonate 0.52
    propanediol butyl ether 6.08
    triethyl orthoformate 0.91
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 3.55
    morpholine 5.96
    tert-butylamine 0.06
    n-dodecanol 0.2
    dimethoxymethane 11.72
    ethylene carbonate 3.35
    cyrene 10.0
    2-ethoxyethyl acetate 5.29
    2-ethylhexyl acetate 0.48
    1,2,4-trichlorobenzene 1.12
    4-methylpyridine 1.99
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.12
    DEF 3.29
    dimethyl isosorbide 8.61
    tetrachloroethylene 2.04
    eugenol 4.28
    triacetin 4.93
    span 80 4.13
    1,4-butanediol 1.42
    1,1-dichloroethane 0.49
    2-methyl-1-pentanol 0.23
    methyl formate 12.29
    2-methyl-1-butanol 0.23
    n-decane 0.03
    butyronitrile 0.38
    3,7-dimethyl-1-octanol 0.3
    1-chlorooctane 0.17
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.61
    tetrahydropyran 1.11
    tert-amyl methyl ether 0.29
    2,5,8-trioxanonane 9.09
    1-hexene 0.04
    2-isopropoxyethanol 2.54
    2,2,2-trifluoroethanol 9.87
    methyl butyrate 1.01

    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