chikusetsusaponin IV

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  • Identifiers

    CAS number
    7518-22-1

    Molecular formula
    C47H74O18

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 52.81%
    Woody 40.94%
    Spicy 32.23%
    Balsamic 27.23%
    Amber 27.1%
    Cooling 26.31%
    Dry 25.58%
    Sweet 25.22%
    Mint 22.07%
    Warm 21.8%

     

    Flavor
    Bitter 60.72%
    Odorless 30.1%
    Sweet-like 26.62%
    Fatty 25.87%
    Bland 25.64%
    Sweet 25.21%
    Cedarleaf 22.1%
    Patchouli 21.07%
    Sandalwood 20.63%
    Soil 20.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    2.77 (strong acid)

    Molecular weight
    927.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1426°C

    Flash point

    • 263.99 ˚C est.

  • Synonyms

    • Araloside A
    • 7518-22-1
    • Chikusetsusaponin IV
    • DTXSID801045681
    • Chikusetsusaponin 4
    • 32BF7Y358G
    • RefChem:918409
    • DTXCID601527603
    • beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxo-olean-12-en-3-yl 4-O-alpha-L-arabinofuranosyl-
    • 6-((4,4,6a,6b,11,11,14b-heptamethyl-8a-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-3-(3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy-4,5-dihydroxyoxane-2-carboxylic acid
    • Chikusetsusaponin-IV
    • (2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
    • Araloside A (Standard)
    • orb1302363
    • SCHEMBL5927782
    • CHEMBL1773982
    • CHEBI:67975
    • HY-N2115R
    • GLXC-14780
    • beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-alpha-L-arabinofuranosyl-
    • HY-N2115
    • EX-A14749
    • MFCD01732055
    • AKOS037515071
    • EBC-615432
    • DA-62265
    • MS-31733
    • CS-0018636
    • C17540
    • Q15410268
    • (3beta)-28-(beta-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-alpha-L-arabinofuranosyl-beta-D-glucopyranosiduronic acid
    • 7518-22-1

  • Applications

    Chikusetsusaponin IV (CAS 7518-22-1) is a natural saponin with several potential industrial and formulation applications. In cosmetics and personal care, it may function as a surfactant and emulsifier to stabilize oil-in-water systems and improve spreadability on the skin. In household cleaning and related products, it can be considered as a foaming/surface-active ingredient. It may also serve as an adjuvant or dispersant in agricultural formulations to enhance spreading and uptake of active ingredients. As a natural glycoside, it is of interest in pharmaceutical research as a lead compound or intermediate for glycoside chemistry. Real-world use will depend on local regulations, formulation limits, and purity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.42
    methanol 31.95
    isopropanol 1.23
    water 0.09
    ethyl acetate 3.6
    n-propanol 2.17
    acetone 7.02
    n-butanol 0.89
    acetonitrile 2.5
    DMF 88.09
    toluene 0.78
    isobutanol 0.84
    1,4-dioxane 13.21
    methyl acetate 4.88
    THF 29.75
    2-butanone 4.48
    n-pentanol 0.72
    sec-butanol 0.79
    n-hexane 0.03
    ethylene glycol 6.37
    NMP 79.86
    cyclohexane 0.06
    DMSO 59.61
    n-butyl acetate 1.4
    n-octanol 0.92
    chloroform 8.01
    n-propyl acetate 1.61
    acetic acid 52.2
    dichloromethane 6.76
    cyclohexanone 5.5
    propylene glycol 6.96
    isopropyl acetate 2.1
    DMAc 69.4
    2-ethoxyethanol 12.96
    isopentanol 0.56
    n-heptane 0.04
    ethyl formate 3.97
    1,2-dichloroethane 3.0
    n-hexanol 0.65
    2-methoxyethanol 34.39
    isobutyl acetate 0.8
    tetrachloromethane 0.79
    n-pentyl acetate 2.45
    transcutol 22.32
    n-heptanol 1.06
    ethylbenzene 0.29
    MIBK 1.49
    2-propoxyethanol 14.39
    tert-butanol 1.0
    MTBE 0.91
    2-butoxyethanol 8.93
    propionic acid 5.95
    o-xylene 0.56
    formic acid 49.57
    diethyl ether 1.35
    m-xylene 0.55
    p-xylene 0.38
    chlorobenzene 1.08
    dimethyl carbonate 11.54
    n-octane 0.03
    formamide 39.33
    cyclopentanone 16.71
    2-pentanone 2.72
    anisole 1.96
    cyclopentyl methyl ether 3.79
    gamma-butyrolactone 29.07
    1-methoxy-2-propanol 18.43
    pyridine 8.62
    3-pentanone 2.65
    furfural 28.32
    n-dodecane 0.02
    diethylene glycol 19.01
    diisopropyl ether 0.27
    tert-amyl alcohol 0.8
    acetylacetone 10.96
    n-hexadecane 0.02
    acetophenone 3.25
    methyl propionate 6.27
    isopentyl acetate 1.16
    trichloroethylene 11.87
    n-nonanol 0.97
    cyclohexanol 0.75
    benzyl alcohol 2.45
    2-ethylhexanol 0.33
    isooctanol 0.68
    dipropyl ether 0.94
    1,2-dichlorobenzene 1.32
    ethyl lactate 3.5
    propylene carbonate 9.73
    n-methylformamide 34.66
    2-pentanol 0.45
    n-pentane 0.03
    1-propoxy-2-propanol 6.61
    1-methoxy-2-propyl acetate 6.77
    2-(2-methoxypropoxy) propanol 7.06
    mesitylene 0.29
    ε-caprolactone 7.02
    p-cymene 0.25
    epichlorohydrin 22.99
    1,1,1-trichloroethane 1.91
    2-aminoethanol 9.0
    morpholine-4-carbaldehyde 73.97
    sulfolane 57.38
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 4.43
    n-hexyl acetate 2.63
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.56
    sec-butyl acetate 0.88
    tert-butyl acetate 2.32
    decalin 0.03
    glycerin 23.52
    diglyme 21.53
    acrylic acid 14.36
    isopropyl myristate 0.57
    n-butyric acid 4.87
    acetyl acetate 5.2
    di(2-ethylhexyl) phthalate 1.33
    ethyl propionate 1.74
    nitromethane 71.12
    1,2-diethoxyethane 3.19
    benzonitrile 1.69
    trioctyl phosphate 0.85
    1-bromopropane 0.58
    gamma-valerolactone 52.1
    n-decanol 0.52
    triethyl phosphate 1.13
    4-methyl-2-pentanol 0.32
    propionitrile 1.42
    vinylene carbonate 12.05
    1,1,2-trichlorotrifluoroethane 52.29
    DMS 4.37
    cumene 0.2
    2-octanol 0.51
    2-hexanone 1.38
    octyl acetate 1.17
    limonene 0.32
    1,2-dimethoxyethane 14.39
    ethyl orthosilicate 0.95
    tributyl phosphate 0.74
    diacetone alcohol 6.14
    N,N-dimethylaniline 1.73
    acrylonitrile 4.23
    aniline 1.73
    1,3-propanediol 6.84
    bromobenzene 0.9
    dibromomethane 2.28
    1,1,2,2-tetrachloroethane 7.95
    2-methyl-cyclohexyl acetate 1.33
    tetrabutyl urea 1.45
    diisobutyl methanol 0.23
    2-phenylethanol 2.25
    styrene 0.37
    dioctyl adipate 1.5
    dimethyl sulfate 27.28
    ethyl butyrate 1.33
    methyl lactate 14.98
    butyl lactate 3.77
    diethyl carbonate 0.98
    propanediol butyl ether 9.86
    triethyl orthoformate 1.66
    p-tert-butyltoluene 0.28
    methyl 4-tert-butylbenzoate 5.42
    morpholine 16.26
    tert-butylamine 0.27
    n-dodecanol 0.29
    dimethoxymethane 37.21
    ethylene carbonate 6.44
    cyrene 15.54
    2-ethoxyethyl acetate 7.4
    2-ethylhexyl acetate 0.83
    1,2,4-trichlorobenzene 2.32
    4-methylpyridine 4.19
    dibutyl ether 0.51
    2,6-dimethyl-4-heptanol 0.23
    DEF 7.53
    dimethyl isosorbide 13.23
    tetrachloroethylene 5.76
    eugenol 5.68
    triacetin 7.93
    span 80 6.62
    1,4-butanediol 2.55
    1,1-dichloroethane 1.72
    2-methyl-1-pentanol 0.46
    methyl formate 29.08
    2-methyl-1-butanol 0.57
    n-decane 0.05
    butyronitrile 0.82
    3,7-dimethyl-1-octanol 0.49
    1-chlorooctane 0.27
    1-chlorotetradecane 0.08
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.96
    tetrahydropyran 3.21
    tert-amyl methyl ether 0.88
    2,5,8-trioxanonane 12.08
    1-hexene 0.11
    2-isopropoxyethanol 4.81
    2,2,2-trifluoroethanol 18.61
    methyl butyrate 2.13

    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