(3I(2))-17-Hydroxy-16-oxo-28-norolean-12-en-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a3)-O-[I(2)-D-galactopyranosyl-(1a2)]-I(2)-D-glucopyranosiduronic acid

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  • Identifiers

    CAS number
    380303-64-0

    Molecular formula
    C54H86O24

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC(=O)[C@@]5([C@H]4CC(CC5)(C)C)O)C)C)(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]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9C([C@H](C([C@H](O9)CO)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.46%
    Woody 32.2%
    Sweet 29.2%
    Spicy 27.26%
    Cooling 26.59%
    Mint 21.7%
    Balsamic 20.31%
    Dry 20.14%
    Warm 19.63%
    Amber 19.24%

     

    Flavor
    Bitter 58.17%
    Sweet 34.46%
    Odorless 33.23%
    Fatty 30.8%
    Sweet-like 28.31%
    Bland 24.54%
    Cedarleaf 21.5%
    Patchouli 20.68%
    Mentholic 20.63%
    Cauliflower 20.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    2.64 (strong acid)

    Molecular weight
    1119.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3223°C

    Flash point

    • 193.36 ˚C est.

  • Synonyms

    • DTXSID801099545
    • (3I(2))-17-Hydroxy-16-oxo-28-norolean-12-en-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a3)-O-[I(2)-D-galactopyranosyl-(1a2)]-I(2)-D-glucopyranosiduronic acid
    • 380303-64-0
    • 380303-64-0

  • Applications

    The compound (3I(2))-17-Hydroxy-16-oxo-28-norolean-12-en-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a3)-O-[I(2)-D-galactopyranosyl-(1a2)]-I(2)-D-glucopyranosiduronic acid (CAS 380303-64-0) is a triterpenoid glycoside saponin with multiple sugar units. It is commonly evaluated as a natural surfactant and emulsifier in cosmetics and cleaning formulations; may act as a foam booster in personal care products; can function as a pharmaceutical excipient or solubility enhancer; has potential as an agricultural adjuvant to improve spray distribution; and may serve as a stabilizer or compatibility agent in polymer formulations, coatings, or inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.25
    methanol 13.52
    isopropanol 0.4
    water 0.12
    ethyl acetate 0.89
    n-propanol 0.64
    acetone 2.73
    n-butanol 0.25
    acetonitrile 1.01
    DMF 34.81
    toluene 0.29
    isobutanol 0.24
    1,4-dioxane 4.5
    methyl acetate 1.52
    THF 6.79
    2-butanone 1.32
    n-pentanol 0.24
    sec-butanol 0.22
    n-hexane 0.01
    ethylene glycol 3.67
    NMP 26.65
    cyclohexane 0.03
    DMSO 35.57
    n-butyl acetate 0.39
    n-octanol 0.3
    chloroform 1.57
    n-propyl acetate 0.49
    acetic acid 15.13
    dichloromethane 1.67
    cyclohexanone 1.54
    propylene glycol 2.48
    isopropyl acetate 0.48
    DMAc 24.56
    2-ethoxyethanol 3.94
    isopentanol 0.14
    n-heptane 0.02
    ethyl formate 1.19
    1,2-dichloroethane 0.85
    n-hexanol 0.18
    2-methoxyethanol 9.39
    isobutyl acetate 0.25
    tetrachloromethane 0.19
    n-pentyl acetate 0.76
    transcutol 7.15
    n-heptanol 0.35
    ethylbenzene 0.11
    MIBK 0.42
    2-propoxyethanol 3.56
    tert-butanol 0.27
    MTBE 0.23
    2-butoxyethanol 2.72
    propionic acid 1.74
    o-xylene 0.22
    formic acid 28.74
    diethyl ether 0.41
    m-xylene 0.2
    p-xylene 0.15
    chlorobenzene 0.29
    dimethyl carbonate 4.03
    n-octane 0.02
    formamide 18.55
    cyclopentanone 4.26
    2-pentanone 0.77
    anisole 0.59
    cyclopentyl methyl ether 0.93
    gamma-butyrolactone 7.39
    1-methoxy-2-propanol 4.41
    pyridine 2.68
    3-pentanone 0.78
    furfural 9.32
    n-dodecane 0.01
    diethylene glycol 6.86
    diisopropyl ether 0.08
    tert-amyl alcohol 0.2
    acetylacetone 3.31
    n-hexadecane 0.01
    acetophenone 1.07
    methyl propionate 1.8
    isopentyl acetate 0.29
    trichloroethylene 2.88
    n-nonanol 0.31
    cyclohexanol 0.22
    benzyl alcohol 0.78
    2-ethylhexanol 0.1
    isooctanol 0.22
    dipropyl ether 0.35
    1,2-dichlorobenzene 0.35
    ethyl lactate 1.14
    propylene carbonate 2.08
    n-methylformamide 12.64
    2-pentanol 0.12
    n-pentane 0.02
    1-propoxy-2-propanol 1.87
    1-methoxy-2-propyl acetate 1.86
    2-(2-methoxypropoxy) propanol 2.31
    mesitylene 0.11
    ε-caprolactone 1.59
    p-cymene 0.1
    epichlorohydrin 5.53
    1,1,1-trichloroethane 0.38
    2-aminoethanol 2.92
    morpholine-4-carbaldehyde 22.64
    sulfolane 19.26
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.94
    n-hexyl acetate 0.7
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.14
    sec-butyl acetate 0.24
    tert-butyl acetate 0.54
    decalin 0.01
    glycerin 9.1
    diglyme 7.1
    acrylic acid 4.7
    isopropyl myristate 0.17
    n-butyric acid 0.98
    acetyl acetate 1.42
    di(2-ethylhexyl) phthalate 0.45
    ethyl propionate 0.49
    nitromethane 25.67
    1,2-diethoxyethane 1.08
    benzonitrile 0.58
    trioctyl phosphate 0.28
    1-bromopropane 0.17
    gamma-valerolactone 14.09
    n-decanol 0.18
    triethyl phosphate 0.33
    4-methyl-2-pentanol 0.08
    propionitrile 0.47
    vinylene carbonate 2.85
    1,1,2-trichlorotrifluoroethane 14.08
    DMS 1.44
    cumene 0.07
    2-octanol 0.18
    2-hexanone 0.48
    octyl acetate 0.36
    limonene 0.11
    1,2-dimethoxyethane 4.85
    ethyl orthosilicate 0.28
    tributyl phosphate 0.22
    diacetone alcohol 1.65
    N,N-dimethylaniline 0.6
    acrylonitrile 1.52
    aniline 0.54
    1,3-propanediol 1.84
    bromobenzene 0.26
    dibromomethane 0.59
    1,1,2,2-tetrachloroethane 1.98
    2-methyl-cyclohexyl acetate 0.36
    tetrabutyl urea 0.54
    diisobutyl methanol 0.07
    2-phenylethanol 0.65
    styrene 0.13
    dioctyl adipate 0.49
    dimethyl sulfate 10.42
    ethyl butyrate 0.4
    methyl lactate 4.38
    butyl lactate 1.11
    diethyl carbonate 0.29
    propanediol butyl ether 3.24
    triethyl orthoformate 0.5
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 1.87
    morpholine 4.33
    tert-butylamine 0.08
    n-dodecanol 0.1
    dimethoxymethane 12.38
    ethylene carbonate 1.47
    cyrene 5.84
    2-ethoxyethyl acetate 2.25
    2-ethylhexyl acetate 0.22
    1,2,4-trichlorobenzene 0.61
    4-methylpyridine 1.19
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.07
    DEF 2.03
    dimethyl isosorbide 4.72
    tetrachloroethylene 1.59
    eugenol 2.02
    triacetin 2.35
    span 80 2.09
    1,4-butanediol 0.99
    1,1-dichloroethane 0.38
    2-methyl-1-pentanol 0.13
    methyl formate 12.62
    2-methyl-1-butanol 0.15
    n-decane 0.02
    butyronitrile 0.24
    3,7-dimethyl-1-octanol 0.15
    1-chlorooctane 0.09
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.49
    tetrahydropyran 0.82
    tert-amyl methyl ether 0.23
    2,5,8-trioxanonane 4.65
    1-hexene 0.05
    2-isopropoxyethanol 1.61
    2,2,2-trifluoroethanol 6.11
    methyl butyrate 0.64

    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