Azukisaponin VI

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  • Identifiers

    CAS number
    82801-39-6

    Molecular formula
    C54H86O25

    SMILES
    CC12CCC(CC1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)(C)C(=O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.98%
    Woody 31.79%
    Sweet 28.83%
    Spicy 25.7%
    Cooling 24.09%
    Amber 20.85%
    Balsamic 20.75%
    Dry 20.43%
    Warm 19.07%
    Mint 18.98%

     

    Flavor
    Bitter 57.45%
    Sweet 36.6%
    Odorless 36.1%
    Fatty 30.84%
    Sweet-like 28.99%
    Bland 25.52%
    Cedarleaf 21.39%
    Patchouli 20.73%
    Cauliflower 20.7%
    Mentholic 20.53%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    2.56 (strong acid)

    Molecular weight
    1135.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3665°C

    Melting point expt.

    • 223 - 225 °C

    Flash point

    • 250.96 ˚C est.

  • Synonyms

    • Azukisaponin VI
    • 82801-39-6
    • 3,4-Dihydroxy-6-((4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-11-(((3,4,5-trihydroxy-6-(((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxan-2-yl)oxy)carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-5-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxane-2-carboxylate
    • 3,4-Dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-11-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate
    • RefChem:116158
    • orb2663431
    • SCHEMBL29793651
    • DTXSID301316895
    • 6-O-Hexopyranosyl-1-O-{3-[(2-O-hexopyranosylhexopyranuronosyl)oxy]-23-hydroxy-29-oxoolean-12-en-29-yl}hexopyranose
    • 82801-39-6

  • Applications

    Azukisaponin VI (CAS 82801-39-6) is a plant-derived saponin of interest as a natural surfactant and emulsifier; in practical terms, it may be evaluated as a cleansing and foaming agent in cosmetics and personal care products, as a surfactant in household cleaners, and as a functional additive in coatings and inks to improve wetting and stability; it can also serve as a bio-based surfactant or stabilizer in industrial manufacturing processes and in polymer formulations as an emulsifier or processing aid; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.6
    methanol 16.8
    isopropanol 0.51
    water 0.12
    ethyl acetate 0.92
    n-propanol 0.75
    acetone 2.64
    n-butanol 0.3
    acetonitrile 0.95
    DMF 33.31
    toluene 0.25
    isobutanol 0.27
    1,4-dioxane 5.04
    methyl acetate 1.46
    THF 7.52
    2-butanone 1.3
    n-pentanol 0.24
    sec-butanol 0.27
    n-hexane 0.01
    ethylene glycol 4.45
    NMP 23.05
    cyclohexane 0.03
    DMSO 35.41
    n-butyl acetate 0.36
    n-octanol 0.37
    chloroform 1.31
    n-propyl acetate 0.43
    acetic acid 13.72
    dichloromethane 1.39
    cyclohexanone 1.42
    propylene glycol 2.99
    isopropyl acetate 0.51
    DMAc 23.93
    2-ethoxyethanol 4.3
    isopentanol 0.17
    n-heptane 0.02
    ethyl formate 1.19
    1,2-dichloroethane 0.74
    n-hexanol 0.2
    2-methoxyethanol 11.74
    isobutyl acetate 0.21
    tetrachloromethane 0.19
    n-pentyl acetate 0.78
    transcutol 8.27
    n-heptanol 0.42
    ethylbenzene 0.1
    MIBK 0.42
    2-propoxyethanol 4.09
    tert-butanol 0.34
    MTBE 0.26
    2-butoxyethanol 3.1
    propionic acid 1.69
    o-xylene 0.2
    formic acid 26.35
    diethyl ether 0.47
    m-xylene 0.18
    p-xylene 0.12
    chlorobenzene 0.23
    dimethyl carbonate 3.76
    n-octane 0.02
    formamide 18.6
    cyclopentanone 4.16
    2-pentanone 0.81
    anisole 0.55
    cyclopentyl methyl ether 0.98
    gamma-butyrolactone 6.38
    1-methoxy-2-propanol 5.62
    pyridine 2.49
    3-pentanone 0.78
    furfural 8.12
    n-dodecane 0.01
    diethylene glycol 7.83
    diisopropyl ether 0.09
    tert-amyl alcohol 0.24
    acetylacetone 3.19
    n-hexadecane 0.01
    acetophenone 0.9
    methyl propionate 1.79
    isopentyl acetate 0.28
    trichloroethylene 2.25
    n-nonanol 0.38
    cyclohexanol 0.24
    benzyl alcohol 0.73
    2-ethylhexanol 0.1
    isooctanol 0.25
    dipropyl ether 0.36
    1,2-dichlorobenzene 0.28
    ethyl lactate 1.09
    propylene carbonate 1.85
    n-methylformamide 12.36
    2-pentanol 0.15
    n-pentane 0.02
    1-propoxy-2-propanol 2.12
    1-methoxy-2-propyl acetate 1.91
    2-(2-methoxypropoxy) propanol 2.54
    mesitylene 0.1
    ε-caprolactone 1.53
    p-cymene 0.09
    epichlorohydrin 5.07
    1,1,1-trichloroethane 0.33
    2-aminoethanol 3.55
    morpholine-4-carbaldehyde 22.3
    sulfolane 16.52
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.02
    n-hexyl acetate 0.77
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.61
    sec-butyl acetate 0.22
    tert-butyl acetate 0.58
    decalin 0.01
    glycerin 10.83
    diglyme 8.1
    acrylic acid 4.29
    isopropyl myristate 0.18
    n-butyric acid 1.04
    acetyl acetate 1.3
    di(2-ethylhexyl) phthalate 0.43
    ethyl propionate 0.47
    nitromethane 21.19
    1,2-diethoxyethane 1.2
    benzonitrile 0.46
    trioctyl phosphate 0.29
    1-bromopropane 0.16
    gamma-valerolactone 13.41
    n-decanol 0.22
    triethyl phosphate 0.31
    4-methyl-2-pentanol 0.1
    propionitrile 0.48
    vinylene carbonate 2.38
    1,1,2-trichlorotrifluoroethane 12.79
    DMS 1.35
    cumene 0.06
    2-octanol 0.22
    2-hexanone 0.44
    octyl acetate 0.38
    limonene 0.11
    1,2-dimethoxyethane 5.21
    ethyl orthosilicate 0.27
    tributyl phosphate 0.22
    diacetone alcohol 1.78
    N,N-dimethylaniline 0.55
    acrylonitrile 1.37
    aniline 0.51
    1,3-propanediol 2.35
    bromobenzene 0.19
    dibromomethane 0.51
    1,1,2,2-tetrachloroethane 1.67
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 0.52
    diisobutyl methanol 0.08
    2-phenylethanol 0.64
    styrene 0.11
    dioctyl adipate 0.48
    dimethyl sulfate 9.21
    ethyl butyrate 0.36
    methyl lactate 4.72
    butyl lactate 1.2
    diethyl carbonate 0.27
    propanediol butyl ether 3.71
    triethyl orthoformate 0.48
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 1.82
    morpholine 4.87
    tert-butylamine 0.09
    n-dodecanol 0.12
    dimethoxymethane 13.57
    ethylene carbonate 1.32
    cyrene 5.26
    2-ethoxyethyl acetate 2.38
    2-ethylhexyl acetate 0.2
    1,2,4-trichlorobenzene 0.48
    4-methylpyridine 1.02
    dibutyl ether 0.2
    2,6-dimethyl-4-heptanol 0.08
    DEF 2.13
    dimethyl isosorbide 4.41
    tetrachloroethylene 1.42
    eugenol 1.96
    triacetin 2.28
    span 80 2.31
    1,4-butanediol 1.07
    1,1-dichloroethane 0.35
    2-methyl-1-pentanol 0.14
    methyl formate 11.54
    2-methyl-1-butanol 0.17
    n-decane 0.03
    butyronitrile 0.25
    3,7-dimethyl-1-octanol 0.16
    1-chlorooctane 0.1
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.53
    tetrahydropyran 0.89
    tert-amyl methyl ether 0.26
    2,5,8-trioxanonane 5.18
    1-hexene 0.04
    2-isopropoxyethanol 1.73
    2,2,2-trifluoroethanol 5.66
    methyl butyrate 0.58

    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