Basellasaponin C

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  • Identifiers

    CAS number
    354552-04-8

    Molecular formula
    C47H68O22

    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)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 64.26%
    Cooling 24.62%
    Spicy 24.31%
    Woody 20.74%
    Dry 19.86%
    Balsamic 19.49%
    Clean 18.22%
    Milky 18.1%
    Mint 17.98%
    Savory 17.87%

     

    Flavor
    Bitter 68.37%
    Odorless 36.48%
    Bland 30.23%
    Sweet-like 26.19%
    Very mild 21.65%
    Cedarleaf 21.38%
    Fatty 20.6%
    Ripe apricot 20.19%
    Parsley 19.99%
    Red fruit 19.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    -0.95 (strong acid)

    Molecular weight
    985.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    2848°C

    Flash point

    • 283.13 ˚C est.

  • Synonyms

    • Basellasaponin C
    • 354552-04-8
    • Olean-12-ene-23,28-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,4alpha)-
    • DTXSID501099089
    • Olean-12-ene-23,28-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),4I+/-)-
    • 354552-04-8

  • Applications

    Basellasaponin C (CAS 354552-04-8) is a natural triterpenoid saponin that can act as a surfactant and emulsifier, with potential use in cosmetic and personal care formulations such as shampoos and cleansers; it can serve as a foaming agent and stabilizer in household cleaners and detergents; it may be used as an emulsifier or processing aid in certain food processing applications; it can function as a surfactant additive in coatings, inks, and polymer formulations; and it may be evaluated as an adjuvant or formulation aid in agrochemical formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.41
    methanol 22.23
    isopropanol 0.86
    water 0.04
    ethyl acetate 1.03
    n-propanol 1.64
    acetone 3.01
    n-butanol 0.8
    acetonitrile 0.79
    DMF 45.39
    toluene 0.23
    isobutanol 0.56
    1,4-dioxane 6.21
    methyl acetate 1.78
    THF 10.08
    2-butanone 2.09
    n-pentanol 0.43
    sec-butanol 0.54
    n-hexane 0.01
    ethylene glycol 5.09
    NMP 35.61
    cyclohexane 0.02
    DMSO 38.07
    n-butyl acetate 0.38
    n-octanol 0.31
    chloroform 2.01
    n-propyl acetate 0.48
    acetic acid 17.57
    dichloromethane 2.08
    cyclohexanone 2.61
    propylene glycol 5.99
    isopropyl acetate 0.53
    DMAc 29.15
    2-ethoxyethanol 6.97
    isopentanol 0.39
    n-heptane 0.01
    ethyl formate 1.97
    1,2-dichloroethane 1.06
    n-hexanol 0.28
    2-methoxyethanol 22.89
    isobutyl acetate 0.19
    tetrachloromethane 0.24
    n-pentyl acetate 0.64
    transcutol 8.01
    n-heptanol 0.4
    ethylbenzene 0.08
    MIBK 0.51
    2-propoxyethanol 6.24
    tert-butanol 0.58
    MTBE 0.33
    2-butoxyethanol 3.83
    propionic acid 2.96
    o-xylene 0.18
    formic acid 24.69
    diethyl ether 0.55
    m-xylene 0.15
    p-xylene 0.09
    chlorobenzene 0.25
    dimethyl carbonate 3.84
    n-octane 0.01
    formamide 20.14
    cyclopentanone 6.46
    2-pentanone 1.21
    anisole 0.53
    cyclopentyl methyl ether 1.15
    gamma-butyrolactone 9.86
    1-methoxy-2-propanol 10.66
    pyridine 2.89
    3-pentanone 1.03
    furfural 10.07
    n-dodecane 0.0
    diethylene glycol 10.06
    diisopropyl ether 0.08
    tert-amyl alcohol 0.44
    acetylacetone 3.13
    n-hexadecane 0.01
    acetophenone 0.83
    methyl propionate 2.14
    isopentyl acetate 0.3
    trichloroethylene 3.02
    n-nonanol 0.32
    cyclohexanol 0.44
    benzyl alcohol 0.86
    2-ethylhexanol 0.11
    isooctanol 0.24
    dipropyl ether 0.29
    1,2-dichlorobenzene 0.28
    ethyl lactate 1.29
    propylene carbonate 2.62
    n-methylformamide 18.49
    2-pentanol 0.28
    n-pentane 0.02
    1-propoxy-2-propanol 2.56
    1-methoxy-2-propyl acetate 1.76
    2-(2-methoxypropoxy) propanol 2.63
    mesitylene 0.08
    ε-caprolactone 2.82
    p-cymene 0.06
    epichlorohydrin 8.13
    1,1,1-trichloroethane 0.47
    2-aminoethanol 6.44
    morpholine-4-carbaldehyde 29.97
    sulfolane 22.84
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.6
    n-hexyl acetate 0.68
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.86
    sec-butyl acetate 0.23
    tert-butyl acetate 0.56
    decalin 0.01
    glycerin 19.68
    diglyme 8.55
    acrylic acid 6.37
    isopropyl myristate 0.14
    n-butyric acid 2.31
    acetyl acetate 1.13
    di(2-ethylhexyl) phthalate 0.4
    ethyl propionate 0.54
    nitromethane 23.61
    1,2-diethoxyethane 0.97
    benzonitrile 0.43
    trioctyl phosphate 0.26
    1-bromopropane 0.23
    gamma-valerolactone 22.53
    n-decanol 0.17
    triethyl phosphate 0.31
    4-methyl-2-pentanol 0.14
    propionitrile 0.6
    vinylene carbonate 3.18
    1,1,2-trichlorotrifluoroethane 19.53
    DMS 1.11
    cumene 0.05
    2-octanol 0.18
    2-hexanone 0.51
    octyl acetate 0.3
    limonene 0.08
    1,2-dimethoxyethane 7.81
    ethyl orthosilicate 0.27
    tributyl phosphate 0.22
    diacetone alcohol 2.14
    N,N-dimethylaniline 0.46
    acrylonitrile 1.67
    aniline 0.64
    1,3-propanediol 5.88
    bromobenzene 0.18
    dibromomethane 0.66
    1,1,2,2-tetrachloroethane 2.47
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 0.48
    diisobutyl methanol 0.07
    2-phenylethanol 0.59
    styrene 0.09
    dioctyl adipate 0.4
    dimethyl sulfate 9.65
    ethyl butyrate 0.38
    methyl lactate 6.6
    butyl lactate 1.28
    diethyl carbonate 0.27
    propanediol butyl ether 4.27
    triethyl orthoformate 0.44
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 1.48
    morpholine 7.74
    tert-butylamine 0.13
    n-dodecanol 0.09
    dimethoxymethane 16.87
    ethylene carbonate 1.95
    cyrene 6.03
    2-ethoxyethyl acetate 2.09
    2-ethylhexyl acetate 0.21
    1,2,4-trichlorobenzene 0.5
    4-methylpyridine 1.3
    dibutyl ether 0.15
    2,6-dimethyl-4-heptanol 0.07
    DEF 3.18
    dimethyl isosorbide 4.17
    tetrachloroethylene 1.87
    eugenol 1.74
    triacetin 1.89
    span 80 2.45
    1,4-butanediol 1.64
    1,1-dichloroethane 0.47
    2-methyl-1-pentanol 0.23
    methyl formate 14.86
    2-methyl-1-butanol 0.43
    n-decane 0.01
    butyronitrile 0.39
    3,7-dimethyl-1-octanol 0.15
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.96
    tetrahydropyran 1.35
    tert-amyl methyl ether 0.34
    2,5,8-trioxanonane 5.07
    1-hexene 0.04
    2-isopropoxyethanol 2.23
    2,2,2-trifluoroethanol 6.42
    methyl butyrate 0.82

    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