Basellasaponin D

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  • Identifiers

    CAS number
    354552-06-0

    Molecular formula
    C47H68O22

    SMILES
    C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@@H]7[C@@H]([C@H](O6)C(=O)O)O[C@]([C@H](O7)OCC(=O)O)(C(=O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.29%
    Cooling 25.76%
    Spicy 25.0%
    Woody 20.72%
    Balsamic 19.82%
    Dry 19.67%
    Mint 18.81%
    Clean 18.52%
    Sweet 18.4%
    Milky 18.08%

     

    Flavor
    Bitter 67.84%
    Odorless 36.14%
    Bland 29.48%
    Sweet-like 26.33%
    Very mild 22.16%
    Cedarleaf 21.31%
    Fatty 21.23%
    Ripe apricot 20.23%
    Parsley 20.01%
    Red fruit 19.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    -0.99 (strong acid)

    Molecular weight
    985.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    2740°C

    Flash point

    • 296.88 ˚C est.

  • Synonyms

    • Basellasaponin D
    • 354552-06-0
    • Olean-12-ene-28,29-dioic acid, 3-((3,4-O-((1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl)-beta-D-glucopyranuronosyl)oxy)-, 28-beta-D-glucopyranosyl ester, (3beta,20alpha)-
    • SCHEMBL29934397
    • DTXSID301099045
    • Olean-12-ene-28,29-dioic acid, 3-[[3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-I(2)-D-glucopyranuronosyl]oxy]-, 28-I(2)-D-glucopyranosyl ester, (3I(2),20I+/-)-
    • 354552-06-0

  • Applications

    Basellasaponin D (CAS 354552-06-0), a plant-derived saponin from Basella alba, can function as a natural surfactant and emulsifier. In practical applications, it is evaluated as a surfactant/emulsifier in cosmetics and personal care; in household and industrial cleaning products; as an additive for emulsions and formulations used in coatings and inks; as a processing aid or compatibilizer in polymers and plastics; and as an adjuvant/surfactant in agricultural formulations to improve spray performance and formulation stability. Use and limits depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.49
    methanol 28.03
    isopropanol 1.37
    water 0.05
    ethyl acetate 1.62
    n-propanol 2.39
    acetone 4.03
    n-butanol 1.23
    acetonitrile 1.07
    DMF 62.3
    toluene 0.28
    isobutanol 0.84
    1,4-dioxane 9.06
    methyl acetate 2.76
    THF 14.75
    2-butanone 2.86
    n-pentanol 0.63
    sec-butanol 0.85
    n-hexane 0.01
    ethylene glycol 7.03
    NMP 48.26
    cyclohexane 0.03
    DMSO 52.22
    n-butyl acetate 0.55
    n-octanol 0.45
    chloroform 2.68
    n-propyl acetate 0.67
    acetic acid 26.3
    dichloromethane 2.79
    cyclohexanone 3.4
    propylene glycol 8.81
    isopropyl acetate 0.87
    DMAc 39.58
    2-ethoxyethanol 10.55
    isopentanol 0.58
    n-heptane 0.02
    ethyl formate 2.89
    1,2-dichloroethane 1.44
    n-hexanol 0.4
    2-methoxyethanol 36.36
    isobutyl acetate 0.25
    tetrachloromethane 0.33
    n-pentyl acetate 0.95
    transcutol 12.56
    n-heptanol 0.57
    ethylbenzene 0.09
    MIBK 0.72
    2-propoxyethanol 9.36
    tert-butanol 0.94
    MTBE 0.55
    2-butoxyethanol 5.6
    propionic acid 4.37
    o-xylene 0.23
    formic acid 33.77
    diethyl ether 0.85
    m-xylene 0.18
    p-xylene 0.11
    chlorobenzene 0.3
    dimethyl carbonate 5.89
    n-octane 0.01
    formamide 28.61
    cyclopentanone 8.65
    2-pentanone 1.76
    anisole 0.73
    cyclopentyl methyl ether 1.76
    gamma-butyrolactone 14.27
    1-methoxy-2-propanol 17.2
    pyridine 3.83
    3-pentanone 1.44
    furfural 14.04
    n-dodecane 0.01
    diethylene glycol 14.51
    diisopropyl ether 0.12
    tert-amyl alcohol 0.72
    acetylacetone 4.62
    n-hexadecane 0.01
    acetophenone 1.06
    methyl propionate 3.19
    isopentyl acetate 0.43
    trichloroethylene 3.99
    n-nonanol 0.47
    cyclohexanol 0.64
    benzyl alcohol 1.12
    2-ethylhexanol 0.16
    isooctanol 0.34
    dipropyl ether 0.43
    1,2-dichlorobenzene 0.37
    ethyl lactate 1.82
    propylene carbonate 4.15
    n-methylformamide 24.98
    2-pentanol 0.45
    n-pentane 0.02
    1-propoxy-2-propanol 3.92
    1-methoxy-2-propyl acetate 2.62
    2-(2-methoxypropoxy) propanol 3.7
    mesitylene 0.1
    ε-caprolactone 4.09
    p-cymene 0.07
    epichlorohydrin 11.68
    1,1,1-trichloroethane 0.65
    2-aminoethanol 9.2
    morpholine-4-carbaldehyde 43.28
    sulfolane 31.91
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.43
    n-hexyl acetate 0.99
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.78
    sec-butyl acetate 0.33
    tert-butyl acetate 0.9
    decalin 0.01
    glycerin 28.18
    diglyme 12.82
    acrylic acid 9.19
    isopropyl myristate 0.2
    n-butyric acid 3.84
    acetyl acetate 1.83
    di(2-ethylhexyl) phthalate 0.55
    ethyl propionate 0.8
    nitromethane 33.17
    1,2-diethoxyethane 1.49
    benzonitrile 0.54
    trioctyl phosphate 0.36
    1-bromopropane 0.31
    gamma-valerolactone 31.44
    n-decanol 0.25
    triethyl phosphate 0.44
    4-methyl-2-pentanol 0.22
    propionitrile 0.79
    vinylene carbonate 4.61
    1,1,2-trichlorotrifluoroethane 27.03
    DMS 1.65
    cumene 0.06
    2-octanol 0.26
    2-hexanone 0.67
    octyl acetate 0.44
    limonene 0.11
    1,2-dimethoxyethane 11.7
    ethyl orthosilicate 0.38
    tributyl phosphate 0.31
    diacetone alcohol 3.36
    N,N-dimethylaniline 0.62
    acrylonitrile 2.16
    aniline 0.91
    1,3-propanediol 9.3
    bromobenzene 0.22
    dibromomethane 0.87
    1,1,2,2-tetrachloroethane 3.37
    2-methyl-cyclohexyl acetate 0.44
    tetrabutyl urea 0.65
    diisobutyl methanol 0.1
    2-phenylethanol 0.79
    styrene 0.11
    dioctyl adipate 0.57
    dimethyl sulfate 14.9
    ethyl butyrate 0.56
    methyl lactate 10.03
    butyl lactate 1.76
    diethyl carbonate 0.41
    propanediol butyl ether 6.08
    triethyl orthoformate 0.64
    p-tert-butyltoluene 0.08
    methyl 4-tert-butylbenzoate 2.06
    morpholine 11.8
    tert-butylamine 0.22
    n-dodecanol 0.13
    dimethoxymethane 24.34
    ethylene carbonate 2.92
    cyrene 7.61
    2-ethoxyethyl acetate 3.17
    2-ethylhexyl acetate 0.29
    1,2,4-trichlorobenzene 0.68
    4-methylpyridine 1.8
    dibutyl ether 0.22
    2,6-dimethyl-4-heptanol 0.1
    DEF 4.8
    dimethyl isosorbide 5.82
    tetrachloroethylene 2.48
    eugenol 2.38
    triacetin 2.76
    span 80 3.57
    1,4-butanediol 2.38
    1,1-dichloroethane 0.67
    2-methyl-1-pentanol 0.33
    methyl formate 19.96
    2-methyl-1-butanol 0.64
    n-decane 0.02
    butyronitrile 0.53
    3,7-dimethyl-1-octanol 0.23
    1-chlorooctane 0.09
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.48
    tetrahydropyran 1.98
    tert-amyl methyl ether 0.52
    2,5,8-trioxanonane 7.52
    1-hexene 0.05
    2-isopropoxyethanol 3.35
    2,2,2-trifluoroethanol 9.76
    methyl butyrate 1.19

    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