Hederasaponin B

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  • Identifiers

    CAS number
    36284-77-2

    Molecular formula
    C59H96O25

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.36%
    Woody 38.41%
    Sweet 31.13%
    Spicy 27.4%
    Cooling 23.22%
    Amber 22.05%
    Dry 21.48%
    Balsamic 21.37%
    Warm 20.06%
    Mint 19.42%

     

    Flavor
    Bitter 53.51%
    Sweet 36.97%
    Fatty 31.92%
    Odorless 31.78%
    Sweet-like 28.15%
    Bland 24.18%
    Cedarleaf 21.48%
    Metallic 20.92%
    Patchouli 20.9%
    Mentholic 20.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    3.82 (weak acid)

    Molecular weight
    1205.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3147°C

    Flash point

    • 196.49 ˚C est.

  • Synonyms

    • Hederasaponin B
    • 36284-77-2
    • RefChem:1086376
    • ((2S,3R,4S,5S,6R)-6-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxymethyl)-3,4,5-trihydroxyoxan-2-yl) (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-((2S,3R,4S,5S)-4,5-dihydroxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
    • CHEMBL506880
    • MFCD16036216
    • Saponin PJ3
    • hederasponin B
    • hederacholichiside B
    • orb1304302
    • SCHEMBL2996335
    • Hederasaponin B (Hederacoside B)
    • NVSLBOBPSCMMSO-BVLVEXITSA-N
    • HY-N0306
    • BDBM50259663
    • AKOS015894325
    • EBC-616550
    • FH73919
    • MS-32044
    • CS-0008804
    • 3beta-[(O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid O-alpha-L-rhamnopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
    • 3beta-O-[alpha-L-rhamnopyranosyl-(1->2)alpha-L-arabinopyranosyl]olean-12-ene-28-O-[alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]ester
    • 36284-77-2

  • Applications

    Hederasaponin B, CAS 36284-77-2, is a triterpenoid glycoside saponin. In practical applications, it is considered a natural surface-active compound with foaming and emulsifying properties, commonly evaluated as a surfactant for cosmetic and personal care formulations (shampoos, cleansers) and household cleaning products. It may also function as a stabilizer or emulsifier in cosmetic emulsions and is being explored for use in coatings, inks, and polymer processing to improve wetting and dispersion. In industrial contexts, this saponin can serve as a natural surfactant additive to modify interfacial behavior in various coating and formulation systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.81
    methanol 32.37
    isopropanol 0.99
    water 0.11
    ethyl acetate 2.64
    n-propanol 1.65
    acetone 4.65
    n-butanol 0.66
    acetonitrile 1.87
    DMF 65.49
    toluene 0.68
    isobutanol 0.63
    1,4-dioxane 11.97
    methyl acetate 3.7
    THF 21.53
    2-butanone 2.98
    n-pentanol 0.59
    sec-butanol 0.62
    n-hexane 0.03
    ethylene glycol 7.11
    NMP 62.13
    cyclohexane 0.06
    DMSO 54.77
    n-butyl acetate 1.15
    n-octanol 0.92
    chloroform 5.27
    n-propyl acetate 1.21
    acetic acid 37.52
    dichloromethane 4.86
    cyclohexanone 4.12
    propylene glycol 6.47
    isopropyl acetate 1.5
    DMAc 49.84
    2-ethoxyethanol 10.98
    isopentanol 0.41
    n-heptane 0.05
    ethyl formate 3.18
    1,2-dichloroethane 2.1
    n-hexanol 0.56
    2-methoxyethanol 27.13
    isobutyl acetate 0.65
    tetrachloromethane 0.57
    n-pentyl acetate 2.29
    transcutol 22.58
    n-heptanol 1.05
    ethylbenzene 0.25
    MIBK 1.02
    2-propoxyethanol 11.75
    tert-butanol 0.78
    MTBE 0.68
    2-butoxyethanol 8.24
    propionic acid 4.95
    o-xylene 0.5
    formic acid 50.63
    diethyl ether 1.05
    m-xylene 0.47
    p-xylene 0.32
    chlorobenzene 0.81
    dimethyl carbonate 9.56
    n-octane 0.03
    formamide 35.88
    cyclopentanone 11.37
    2-pentanone 1.9
    anisole 1.61
    cyclopentyl methyl ether 3.03
    gamma-butyrolactone 21.07
    1-methoxy-2-propanol 13.37
    pyridine 6.78
    3-pentanone 1.88
    furfural 24.58
    n-dodecane 0.02
    diethylene glycol 17.63
    diisopropyl ether 0.21
    tert-amyl alcohol 0.6
    acetylacetone 7.81
    n-hexadecane 0.02
    acetophenone 2.59
    methyl propionate 4.77
    isopentyl acetate 0.99
    trichloroethylene 7.91
    n-nonanol 0.97
    cyclohexanol 0.64
    benzyl alcohol 2.17
    2-ethylhexanol 0.3
    isooctanol 0.67
    dipropyl ether 0.83
    1,2-dichlorobenzene 1.02
    ethyl lactate 2.99
    propylene carbonate 7.56
    n-methylformamide 26.65
    2-pentanol 0.35
    n-pentane 0.03
    1-propoxy-2-propanol 5.81
    1-methoxy-2-propyl acetate 5.81
    2-(2-methoxypropoxy) propanol 6.84
    mesitylene 0.26
    ε-caprolactone 5.45
    p-cymene 0.24
    epichlorohydrin 16.28
    1,1,1-trichloroethane 1.16
    2-aminoethanol 7.95
    morpholine-4-carbaldehyde 62.48
    sulfolane 47.54
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.21
    n-hexyl acetate 2.37
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.49
    sec-butyl acetate 0.68
    tert-butyl acetate 1.75
    decalin 0.03
    glycerin 21.79
    diglyme 20.98
    acrylic acid 12.34
    isopropyl myristate 0.51
    n-butyric acid 3.49
    acetyl acetate 3.92
    di(2-ethylhexyl) phthalate 1.33
    ethyl propionate 1.29
    nitromethane 53.22
    1,2-diethoxyethane 2.92
    benzonitrile 1.4
    trioctyl phosphate 0.83
    1-bromopropane 0.44
    gamma-valerolactone 41.7
    n-decanol 0.53
    triethyl phosphate 1.03
    4-methyl-2-pentanol 0.24
    propionitrile 1.03
    vinylene carbonate 9.44
    1,1,2-trichlorotrifluoroethane 41.98
    DMS 3.94
    cumene 0.17
    2-octanol 0.51
    2-hexanone 1.07
    octyl acetate 1.08
    limonene 0.29
    1,2-dimethoxyethane 12.25
    ethyl orthosilicate 0.88
    tributyl phosphate 0.69
    diacetone alcohol 4.43
    N,N-dimethylaniline 1.48
    acrylonitrile 3.19
    aniline 1.52
    1,3-propanediol 5.27
    bromobenzene 0.69
    dibromomethane 1.68
    1,1,2,2-tetrachloroethane 5.3
    2-methyl-cyclohexyl acetate 1.13
    tetrabutyl urea 1.32
    diisobutyl methanol 0.21
    2-phenylethanol 1.99
    styrene 0.31
    dioctyl adipate 1.46
    dimethyl sulfate 23.9
    ethyl butyrate 1.1
    methyl lactate 12.52
    butyl lactate 3.58
    diethyl carbonate 0.87
    propanediol butyl ether 9.5
    triethyl orthoformate 1.49
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 5.14
    morpholine 13.24
    tert-butylamine 0.23
    n-dodecanol 0.29
    dimethoxymethane 29.79
    ethylene carbonate 5.19
    cyrene 13.99
    2-ethoxyethyl acetate 7.0
    2-ethylhexyl acetate 0.72
    1,2,4-trichlorobenzene 1.81
    4-methylpyridine 3.16
    dibutyl ether 0.48
    2,6-dimethyl-4-heptanol 0.21
    DEF 5.75
    dimethyl isosorbide 12.89
    tetrachloroethylene 4.12
    eugenol 5.25
    triacetin 7.32
    span 80 6.48
    1,4-butanediol 2.23
    1,1-dichloroethane 1.08
    2-methyl-1-pentanol 0.36
    methyl formate 24.21
    2-methyl-1-butanol 0.44
    n-decane 0.05
    butyronitrile 0.6
    3,7-dimethyl-1-octanol 0.46
    1-chlorooctane 0.26
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.51
    tetrahydropyran 2.48
    tert-amyl methyl ether 0.69
    2,5,8-trioxanonane 12.66
    1-hexene 0.09
    2-isopropoxyethanol 4.15
    2,2,2-trifluoroethanol 15.26
    methyl butyrate 1.65

    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