Isoeruboside B

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  • Identifiers

    CAS number
    72994-87-7

    Molecular formula
    C51H84O24

    SMILES
    CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)O)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.53%
    Sweet 33.19%
    Cooling 24.82%
    Woody 23.64%
    Mint 20.63%
    Spicy 18.9%
    Vanilla 18.7%
    Milky 17.48%
    Alcoholic 16.8%
    Warm 16.76%

     

    Flavor
    Sweet 51.01%
    Bitter 43.55%
    Fatty 39.59%
    Odorless 37.64%
    Sweet-like 29.51%
    Cauliflower 22.31%
    Metallic 22.05%
    Alkaline 21.31%
    Mentholic 21.01%
    Very slight 20.75%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -1.8

    pKa est.
    2.43 (strong acid)

    Molecular weight
    1081.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3468°C

    Melting point expt.

    • 310 - 312 °C

    Flash point

    • 177.48 ˚C est.

  • Synonyms

    • Isoeruboside B
    • Iso-eruboside B
    • 72994-87-7
    • RefChem:149318
    • 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • SCHEMBL29489117
    • DTXSID50993751
    • 6-hydroxyspirostan-3-yl hexopyranosyl-(1->2)-[hexopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranoside
    • 72994-87-7

  • Applications

    Isoeruboside B (CAS 72994-87-7) is a glycoside saponin under evaluation for several practical applications in formulation and research. In cosmetics and personal care, it may serve as a natural surfactant and mild foaming agent and as an emulsifier in skincare and haircare products. In cleaning and household products, it can function as a plant-derived surfactant and stabilizing additive in cleaners and detergents. In coatings and inks, it is considered as an additive to improve wetting and formulation stability. In agriculture and biopesticide research, it is studied for potential pesticidal or deterrent properties within natural product-based crop protection. In pharmaceuticals and natural product synthesis, it may be used as an intermediate or analytical reference compound for phytochemical studies, with use subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.12
    methanol 9.65
    isopropanol 0.28
    water 0.45
    ethyl acetate 0.87
    n-propanol 0.49
    acetone 2.28
    n-butanol 0.24
    acetonitrile 0.92
    DMF 20.03
    toluene 0.22
    isobutanol 0.18
    1,4-dioxane 3.86
    methyl acetate 1.11
    THF 5.7
    2-butanone 1.02
    n-pentanol 0.25
    sec-butanol 0.16
    n-hexane 0.01
    ethylene glycol 3.24
    NMP 21.87
    cyclohexane 0.02
    DMSO 38.22
    n-butyl acetate 0.53
    n-octanol 0.47
    chloroform 1.11
    n-propyl acetate 0.59
    acetic acid 14.64
    dichloromethane 1.34
    cyclohexanone 1.72
    propylene glycol 1.53
    isopropyl acetate 0.58
    DMAc 16.91
    2-ethoxyethanol 4.73
    isopentanol 0.14
    n-heptane 0.03
    ethyl formate 1.34
    1,2-dichloroethane 0.69
    n-hexanol 0.23
    2-methoxyethanol 9.34
    isobutyl acetate 0.31
    tetrachloromethane 0.18
    n-pentyl acetate 1.21
    transcutol 10.0
    n-heptanol 0.54
    ethylbenzene 0.09
    MIBK 0.46
    2-propoxyethanol 4.18
    tert-butanol 0.18
    MTBE 0.16
    2-butoxyethanol 4.08
    propionic acid 1.41
    o-xylene 0.17
    formic acid 32.66
    diethyl ether 0.34
    m-xylene 0.17
    p-xylene 0.13
    chlorobenzene 0.28
    dimethyl carbonate 3.46
    n-octane 0.02
    formamide 22.84
    cyclopentanone 4.1
    2-pentanone 0.79
    anisole 0.52
    cyclopentyl methyl ether 0.97
    gamma-butyrolactone 7.0
    1-methoxy-2-propanol 4.08
    pyridine 2.25
    3-pentanone 0.65
    furfural 11.5
    n-dodecane 0.01
    diethylene glycol 7.4
    diisopropyl ether 0.08
    tert-amyl alcohol 0.15
    acetylacetone 3.62
    n-hexadecane 0.02
    acetophenone 1.15
    methyl propionate 1.46
    isopentyl acetate 0.41
    trichloroethylene 2.05
    n-nonanol 0.5
    cyclohexanol 0.21
    benzyl alcohol 0.82
    2-ethylhexanol 0.14
    isooctanol 0.32
    dipropyl ether 0.4
    1,2-dichlorobenzene 0.34
    ethyl lactate 1.3
    propylene carbonate 2.46
    n-methylformamide 9.38
    2-pentanol 0.11
    n-pentane 0.01
    1-propoxy-2-propanol 2.09
    1-methoxy-2-propyl acetate 2.27
    2-(2-methoxypropoxy) propanol 2.82
    mesitylene 0.1
    ε-caprolactone 2.06
    p-cymene 0.13
    epichlorohydrin 5.07
    1,1,1-trichloroethane 0.3
    2-aminoethanol 2.72
    morpholine-4-carbaldehyde 22.58
    sulfolane 20.05
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.91
    n-hexyl acetate 1.12
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.73
    sec-butyl acetate 0.29
    tert-butyl acetate 0.61
    decalin 0.01
    glycerin 7.64
    diglyme 9.53
    acrylic acid 4.1
    isopropyl myristate 0.28
    n-butyric acid 1.19
    acetyl acetate 1.69
    di(2-ethylhexyl) phthalate 0.71
    ethyl propionate 0.54
    nitromethane 23.59
    1,2-diethoxyethane 1.47
    benzonitrile 0.7
    trioctyl phosphate 0.47
    1-bromopropane 0.14
    gamma-valerolactone 16.15
    n-decanol 0.29
    triethyl phosphate 0.47
    4-methyl-2-pentanol 0.08
    propionitrile 0.37
    vinylene carbonate 3.49
    1,1,2-trichlorotrifluoroethane 13.39
    DMS 1.5
    cumene 0.07
    2-octanol 0.25
    2-hexanone 0.52
    octyl acetate 0.61
    limonene 0.15
    1,2-dimethoxyethane 4.76
    ethyl orthosilicate 0.39
    tributyl phosphate 0.37
    diacetone alcohol 1.65
    N,N-dimethylaniline 0.49
    acrylonitrile 1.19
    aniline 0.49
    1,3-propanediol 2.05
    bromobenzene 0.24
    dibromomethane 0.5
    1,1,2,2-tetrachloroethane 1.31
    2-methyl-cyclohexyl acetate 0.51
    tetrabutyl urea 0.76
    diisobutyl methanol 0.09
    2-phenylethanol 0.81
    styrene 0.12
    dioctyl adipate 0.78
    dimethyl sulfate 9.66
    ethyl butyrate 0.52
    methyl lactate 3.93
    butyl lactate 1.78
    diethyl carbonate 0.39
    propanediol butyl ether 4.36
    triethyl orthoformate 0.63
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 2.43
    morpholine 3.65
    tert-butylamine 0.05
    n-dodecanol 0.18
    dimethoxymethane 8.52
    ethylene carbonate 1.89
    cyrene 6.21
    2-ethoxyethyl acetate 3.62
    2-ethylhexyl acetate 0.33
    1,2,4-trichlorobenzene 0.54
    4-methylpyridine 1.11
    dibutyl ether 0.26
    2,6-dimethyl-4-heptanol 0.09
    DEF 2.1
    dimethyl isosorbide 5.96
    tetrachloroethylene 1.19
    eugenol 2.8
    triacetin 3.45
    span 80 2.92
    1,4-butanediol 1.1
    1,1-dichloroethane 0.31
    2-methyl-1-pentanol 0.13
    methyl formate 9.31
    2-methyl-1-butanol 0.13
    n-decane 0.03
    butyronitrile 0.26
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.14
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.42
    tetrahydropyran 0.73
    tert-amyl methyl ether 0.18
    2,5,8-trioxanonane 6.24
    1-hexene 0.03
    2-isopropoxyethanol 1.88
    2,2,2-trifluoroethanol 7.84
    methyl butyrate 0.71

    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