16alpha,28-Dihydroxy-22alpha-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3beta-yl beta-D-galactopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)]-beta-D-glucopyranosiduronic acid

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  • Identifiers

    CAS number
    183020-18-0

    Molecular formula
    C58H92O25

    SMILES
    C/C=C(/C)\C(=O)O[C@H]1CC(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=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]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C)C)C)O)CO)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.33%
    Sweet 33.0%
    Woody 31.6%
    Cooling 27.72%
    Spicy 27.49%
    Mint 25.58%
    Balsamic 21.37%
    Warm 20.76%
    Dry 20.15%
    Amber 19.31%

     

    Flavor
    Bitter 63.72%
    Odorless 30.8%
    Fatty 27.5%
    Sweet-like 27.04%
    Bland 25.82%
    Sweet 24.48%
    Cedarleaf 21.78%
    Patchouli 20.28%
    Mentholic 20.15%
    Sandalwood 20.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    1.94 (strong acid)

    Molecular weight
    1189.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3344°C

    Flash point

    • 192.25 ˚C est.

  • Synonyms

    • DTXSID101316063
    • 16alpha,28-Dihydroxy-22alpha-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3beta-yl beta-D-galactopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)]-beta-D-glucopyranosiduronic acid
    • 183020-18-0
    • 183020-18-0

  • Applications

    16alpha,28-Dihydroxy-22alpha-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3beta-yl beta-D-galactopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)]-beta-D-glucopyranosiduronic acid (CAS 183020-18-0) is a triterpene glycoside that can function as a natural surfactant/emulsifier and foaming agent in cosmetic and personal care products; it may serve as a stabilizing/dispersing component in coatings, inks, and polymer formulations; it is sometimes evaluated as a solubilizer or excipient in pharmaceutical development; it can be used as an intermediate for the synthesis of other saponin derivatives; and in agricultural formulation research it may act as a carrier or adjuvant, within regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.15
    methanol 25.57
    isopropanol 0.78
    water 0.13
    ethyl acetate 2.52
    n-propanol 1.35
    acetone 5.46
    n-butanol 0.54
    acetonitrile 2.15
    DMF 75.19
    toluene 0.92
    isobutanol 0.53
    1,4-dioxane 9.53
    methyl acetate 3.91
    THF 17.8
    2-butanone 3.11
    n-pentanol 0.51
    sec-butanol 0.49
    n-hexane 0.03
    ethylene glycol 5.96
    NMP 60.77
    cyclohexane 0.06
    DMSO 57.24
    n-butyl acetate 0.95
    n-octanol 0.59
    chloroform 5.23
    n-propyl acetate 1.26
    acetic acid 33.26
    dichloromethane 5.13
    cyclohexanone 3.79
    propylene glycol 5.17
    isopropyl acetate 1.38
    DMAc 51.93
    2-ethoxyethanol 7.8
    isopentanol 0.31
    n-heptane 0.05
    ethyl formate 2.68
    1,2-dichloroethane 2.33
    n-hexanol 0.41
    2-methoxyethanol 20.65
    isobutyl acetate 0.6
    tetrachloromethane 0.56
    n-pentyl acetate 1.62
    transcutol 14.6
    n-heptanol 0.69
    ethylbenzene 0.28
    MIBK 1.01
    2-propoxyethanol 8.31
    tert-butanol 0.6
    MTBE 0.52
    2-butoxyethanol 5.07
    propionic acid 4.46
    o-xylene 0.62
    formic acid 48.44
    diethyl ether 0.96
    m-xylene 0.59
    p-xylene 0.36
    chlorobenzene 0.93
    dimethyl carbonate 11.02
    n-octane 0.03
    formamide 33.06
    cyclopentanone 11.45
    2-pentanone 1.91
    anisole 1.6
    cyclopentyl methyl ether 2.71
    gamma-butyrolactone 21.1
    1-methoxy-2-propanol 10.46
    pyridine 6.74
    3-pentanone 2.16
    furfural 21.9
    n-dodecane 0.02
    diethylene glycol 13.5
    diisopropyl ether 0.19
    tert-amyl alcohol 0.46
    acetylacetone 8.73
    n-hexadecane 0.02
    acetophenone 2.74
    methyl propionate 5.22
    isopentyl acetate 0.71
    trichloroethylene 8.95
    n-nonanol 0.62
    cyclohexanol 0.53
    benzyl alcohol 1.99
    2-ethylhexanol 0.22
    isooctanol 0.45
    dipropyl ether 0.74
    1,2-dichlorobenzene 1.13
    ethyl lactate 2.71
    propylene carbonate 6.34
    n-methylformamide 26.77
    2-pentanol 0.27
    n-pentane 0.04
    1-propoxy-2-propanol 4.22
    1-methoxy-2-propyl acetate 4.69
    2-(2-methoxypropoxy) propanol 4.68
    mesitylene 0.31
    ε-caprolactone 4.42
    p-cymene 0.23
    epichlorohydrin 15.3
    1,1,1-trichloroethane 1.31
    2-aminoethanol 5.84
    morpholine-4-carbaldehyde 51.8
    sulfolane 47.8
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.61
    n-hexyl acetate 1.59
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.04
    sec-butyl acetate 0.62
    tert-butyl acetate 1.6
    decalin 0.03
    glycerin 17.64
    diglyme 13.28
    acrylic acid 11.85
    isopropyl myristate 0.4
    n-butyric acid 2.78
    acetyl acetate 3.96
    di(2-ethylhexyl) phthalate 1.0
    ethyl propionate 1.35
    nitromethane 55.21
    1,2-diethoxyethane 2.23
    benzonitrile 1.36
    trioctyl phosphate 0.61
    1-bromopropane 0.49
    gamma-valerolactone 33.19
    n-decanol 0.36
    triethyl phosphate 0.83
    4-methyl-2-pentanol 0.19
    propionitrile 1.17
    vinylene carbonate 8.37
    1,1,2-trichlorotrifluoroethane 35.48
    DMS 3.72
    cumene 0.18
    2-octanol 0.34
    2-hexanone 1.09
    octyl acetate 0.8
    limonene 0.28
    1,2-dimethoxyethane 9.12
    ethyl orthosilicate 0.69
    tributyl phosphate 0.52
    diacetone alcohol 3.81
    N,N-dimethylaniline 1.52
    acrylonitrile 3.75
    aniline 1.49
    1,3-propanediol 3.7
    bromobenzene 0.88
    dibromomethane 1.79
    1,1,2,2-tetrachloroethane 5.93
    2-methyl-cyclohexyl acetate 0.96
    tetrabutyl urea 1.15
    diisobutyl methanol 0.16
    2-phenylethanol 1.61
    styrene 0.37
    dioctyl adipate 1.15
    dimethyl sulfate 26.45
    ethyl butyrate 1.0
    methyl lactate 11.13
    butyl lactate 2.49
    diethyl carbonate 0.74
    propanediol butyl ether 6.26
    triethyl orthoformate 1.19
    p-tert-butyltoluene 0.26
    methyl 4-tert-butylbenzoate 4.14
    morpholine 9.91
    tert-butylamine 0.17
    n-dodecanol 0.21
    dimethoxymethane 30.27
    ethylene carbonate 4.3
    cyrene 12.35
    2-ethoxyethyl acetate 4.93
    2-ethylhexyl acetate 0.53
    1,2,4-trichlorobenzene 1.94
    4-methylpyridine 3.09
    dibutyl ether 0.36
    2,6-dimethyl-4-heptanol 0.16
    DEF 5.18
    dimethyl isosorbide 10.44
    tetrachloroethylene 4.48
    eugenol 4.19
    triacetin 5.51
    span 80 4.56
    1,4-butanediol 1.88
    1,1-dichloroethane 1.18
    2-methyl-1-pentanol 0.29
    methyl formate 26.38
    2-methyl-1-butanol 0.34
    n-decane 0.05
    butyronitrile 0.57
    3,7-dimethyl-1-octanol 0.32
    1-chlorooctane 0.21
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.04
    cyclopentanol 1.26
    tetrahydropyran 1.99
    tert-amyl methyl ether 0.56
    2,5,8-trioxanonane 8.66
    1-hexene 0.1
    2-isopropoxyethanol 3.14
    2,2,2-trifluoroethanol 12.86
    methyl butyrate 1.66

    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