Basellasaponin B

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  • Identifiers

    CAS number
    354552-02-6

    Molecular formula
    C47H68O21

    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)O[C@H]7[C@@H]([C@@H]8[C@@H]([C@H](O7)C(=O)O)O[C@]([C@H](O8)OCC(=O)O)(C(=O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.5%
    Spicy 25.76%
    Cooling 24.25%
    Woody 23.45%
    Dry 19.85%
    Mint 18.74%
    Balsamic 18.12%
    Amber 17.94%
    Milky 17.6%
    Clean 17.57%

     

    Flavor
    Bitter 71.36%
    Odorless 32.15%
    Bland 28.27%
    Sweet-like 25.49%
    Cedarleaf 21.74%
    Fatty 21.42%
    Ripe apricot 20.24%
    Parsley 20.12%
    Red fruit 19.83%
    Very mild 19.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    -0.17 (strong acid)

    Molecular weight
    969.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    2417°C

    Flash point

    • 281.06 ˚C est.

  • Synonyms

    • Basellasaponin B
    • 354552-02-6
    • beta-D-Glucopyranosiduronic acid, (3beta,4alpha)-28-(beta-D-glucopyranosyloxy)-23,28-dioxoolean-12-en-3-yl 3,4-O-((1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl)-
    • SCHEMBL29726788
    • CHEBI:231020
    • DTXSID501099439
    • I(2)-D-Glucopyranosiduronic acid, (3I(2),4I+/-)-28-(I(2)-D-glucopyranosyloxy)-23,28-dioxoolean-12-en-3-yl 3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-
    • 354552-02-6

  • Applications

    Basellasaponin B, a natural saponin isolated from Basella alba, is primarily used as a surface-active agent and emulsifier, aiding stabilization of emulsions and foaming. In cosmetics and personal care, it functions as a surfactant and emulsifier for products such as shampoos, cleansers, and moisturizers. In household and industrial cleaning formulations, basellasaponin B is used as a surfactant and detergent additive; in coatings and inks, it can act as a wetting agent and pigment dispersant to improve coating uniformity. In agriculture, basellasaponin B may be used as an adjuvant for spray formulations and dispersant for pesticide formulations to enhance dispersion and efficacy. Use and limits depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.78
    methanol 17.52
    isopropanol 0.66
    water 0.04
    ethyl acetate 1.0
    n-propanol 1.32
    acetone 2.7
    n-butanol 0.64
    acetonitrile 0.78
    DMF 36.36
    toluene 0.23
    isobutanol 0.44
    1,4-dioxane 5.09
    methyl acetate 1.75
    THF 8.88
    2-butanone 1.9
    n-pentanol 0.36
    sec-butanol 0.42
    n-hexane 0.01
    ethylene glycol 3.86
    NMP 32.45
    cyclohexane 0.02
    DMSO 31.09
    n-butyl acetate 0.36
    n-octanol 0.26
    chloroform 2.06
    n-propyl acetate 0.48
    acetic acid 17.15
    dichloromethane 2.14
    cyclohexanone 2.4
    propylene glycol 4.51
    isopropyl acetate 0.5
    DMAc 25.36
    2-ethoxyethanol 5.66
    isopentanol 0.31
    n-heptane 0.01
    ethyl formate 1.86
    1,2-dichloroethane 1.03
    n-hexanol 0.22
    2-methoxyethanol 17.55
    isobutyl acetate 0.19
    tetrachloromethane 0.24
    n-pentyl acetate 0.59
    transcutol 6.51
    n-heptanol 0.33
    ethylbenzene 0.08
    MIBK 0.46
    2-propoxyethanol 4.98
    tert-butanol 0.44
    MTBE 0.28
    2-butoxyethanol 3.17
    propionic acid 2.71
    o-xylene 0.17
    formic acid 22.24
    diethyl ether 0.46
    m-xylene 0.14
    p-xylene 0.09
    chlorobenzene 0.27
    dimethyl carbonate 3.55
    n-octane 0.01
    formamide 18.25
    cyclopentanone 6.15
    2-pentanone 1.11
    anisole 0.52
    cyclopentyl methyl ether 1.04
    gamma-butyrolactone 9.7
    1-methoxy-2-propanol 8.19
    pyridine 2.77
    3-pentanone 0.96
    furfural 9.85
    n-dodecane 0.0
    diethylene glycol 7.76
    diisopropyl ether 0.07
    tert-amyl alcohol 0.35
    acetylacetone 3.02
    n-hexadecane 0.01
    acetophenone 0.85
    methyl propionate 2.0
    isopentyl acetate 0.27
    trichloroethylene 3.12
    n-nonanol 0.27
    cyclohexanol 0.37
    benzyl alcohol 0.86
    2-ethylhexanol 0.1
    isooctanol 0.2
    dipropyl ether 0.26
    1,2-dichlorobenzene 0.3
    ethyl lactate 1.21
    propylene carbonate 2.65
    n-methylformamide 15.96
    2-pentanol 0.23
    n-pentane 0.01
    1-propoxy-2-propanol 2.13
    1-methoxy-2-propyl acetate 1.57
    2-(2-methoxypropoxy) propanol 2.23
    mesitylene 0.07
    ε-caprolactone 2.66
    p-cymene 0.06
    epichlorohydrin 7.49
    1,1,1-trichloroethane 0.48
    2-aminoethanol 5.08
    morpholine-4-carbaldehyde 25.3
    sulfolane 21.67
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.41
    n-hexyl acetate 0.62
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.21
    sec-butyl acetate 0.23
    tert-butyl acetate 0.52
    decalin 0.01
    glycerin 14.82
    diglyme 7.12
    acrylic acid 6.06
    isopropyl myristate 0.13
    n-butyric acid 2.13
    acetyl acetate 1.14
    di(2-ethylhexyl) phthalate 0.37
    ethyl propionate 0.53
    nitromethane 22.69
    1,2-diethoxyethane 0.85
    benzonitrile 0.45
    trioctyl phosphate 0.23
    1-bromopropane 0.22
    gamma-valerolactone 20.2
    n-decanol 0.14
    triethyl phosphate 0.3
    4-methyl-2-pentanol 0.12
    propionitrile 0.58
    vinylene carbonate 3.28
    1,1,2-trichlorotrifluoroethane 17.37
    DMS 1.05
    cumene 0.05
    2-octanol 0.15
    2-hexanone 0.49
    octyl acetate 0.27
    limonene 0.07
    1,2-dimethoxyethane 6.53
    ethyl orthosilicate 0.25
    tributyl phosphate 0.19
    diacetone alcohol 1.94
    N,N-dimethylaniline 0.44
    acrylonitrile 1.66
    aniline 0.63
    1,3-propanediol 4.53
    bromobenzene 0.2
    dibromomethane 0.67
    1,1,2,2-tetrachloroethane 2.43
    2-methyl-cyclohexyl acetate 0.31
    tetrabutyl urea 0.42
    diisobutyl methanol 0.06
    2-phenylethanol 0.55
    styrene 0.1
    dioctyl adipate 0.38
    dimethyl sulfate 8.9
    ethyl butyrate 0.37
    methyl lactate 5.84
    butyl lactate 1.12
    diethyl carbonate 0.27
    propanediol butyl ether 3.47
    triethyl orthoformate 0.41
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 1.33
    morpholine 6.19
    tert-butylamine 0.11
    n-dodecanol 0.08
    dimethoxymethane 13.29
    ethylene carbonate 1.93
    cyrene 5.57
    2-ethoxyethyl acetate 1.92
    2-ethylhexyl acetate 0.2
    1,2,4-trichlorobenzene 0.53
    4-methylpyridine 1.28
    dibutyl ether 0.13
    2,6-dimethyl-4-heptanol 0.06
    DEF 2.78
    dimethyl isosorbide 3.66
    tetrachloroethylene 1.85
    eugenol 1.57
    triacetin 1.73
    span 80 2.08
    1,4-butanediol 1.34
    1,1-dichloroethane 0.48
    2-methyl-1-pentanol 0.2
    methyl formate 13.19
    2-methyl-1-butanol 0.35
    n-decane 0.01
    butyronitrile 0.36
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.06
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.83
    tetrahydropyran 1.15
    tert-amyl methyl ether 0.29
    2,5,8-trioxanonane 4.25
    1-hexene 0.03
    2-isopropoxyethanol 1.88
    2,2,2-trifluoroethanol 6.1
    methyl butyrate 0.78

    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