30-Noroleana-12,20(29)-dien-28-oic acid, 3-[(3-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosyl)oxy]-, I(2)-D-glucopyranosyl ester, (3I(2))-

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  • Identifiers

    CAS number
    219805-92-2

    Molecular formula
    C46H72O17

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(=C)CC5)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.34%
    Woody 42.71%
    Spicy 34.86%
    Sweet 29.49%
    Balsamic 26.36%
    Amber 25.91%
    Cooling 24.47%
    Dry 23.8%
    Warm 22.48%
    Mint 21.7%

     

    Flavor
    Bitter 61.86%
    Fatty 30.48%
    Odorless 28.01%
    Sweet-like 26.65%
    Sweet 26.19%
    Bland 23.84%
    Cedarleaf 22.24%
    Patchouli 21.04%
    Soil 20.8%
    Beet 20.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    3.9 (weak acid)

    Molecular weight
    897.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1699°C

    Flash point

    • 257.82 ˚C est.

  • Synonyms

    • DTXSID401103914
    • 219805-92-2
    • 30-Noroleana-12,20(29)-dien-28-oic acid, 3-[(3-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosyl)oxy]-, I(2)-D-glucopyranosyl ester, (3I(2))-
    • 219805-92-2

  • Applications

    The compound 30-Noroleana-12,20(29)-dien-28-oic acid, 3-[(3-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosyl)oxy]-, I(2)-D-glucopyranosyl ester, (3I(2))- (CAS 219805-92-2) is a glycoside-containing triterpenoid that may function as a surfactant and emulsifier in cosmetics and personal care, and may be used as a wetting and dispersing agent in cleaning formulations and in coatings or inks. The sugar moieties also suggest potential as an intermediate or formulation aid for pharmaceutical and agricultural applications, including as an adjuvant in agrochemical products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.93
    methanol 22.59
    isopropanol 0.65
    water 0.06
    ethyl acetate 1.59
    n-propanol 1.17
    acetone 2.71
    n-butanol 0.56
    acetonitrile 0.98
    DMF 38.49
    toluene 0.39
    isobutanol 0.44
    1,4-dioxane 7.11
    methyl acetate 1.99
    THF 14.0
    2-butanone 1.89
    n-pentanol 0.39
    sec-butanol 0.43
    n-hexane 0.01
    ethylene glycol 4.4
    NMP 38.0
    cyclohexane 0.03
    DMSO 30.37
    n-butyl acetate 0.61
    n-octanol 0.49
    chloroform 2.85
    n-propyl acetate 0.66
    acetic acid 24.59
    dichloromethane 2.71
    cyclohexanone 2.51
    propylene glycol 4.26
    isopropyl acetate 0.94
    DMAc 28.89
    2-ethoxyethanol 7.18
    isopentanol 0.32
    n-heptane 0.02
    ethyl formate 1.93
    1,2-dichloroethane 1.17
    n-hexanol 0.34
    2-methoxyethanol 21.25
    isobutyl acetate 0.34
    tetrachloromethane 0.3
    n-pentyl acetate 1.26
    transcutol 14.59
    n-heptanol 0.61
    ethylbenzene 0.14
    MIBK 0.65
    2-propoxyethanol 7.63
    tert-butanol 0.47
    MTBE 0.4
    2-butoxyethanol 5.37
    propionic acid 2.93
    o-xylene 0.28
    formic acid 32.47
    diethyl ether 0.64
    m-xylene 0.27
    p-xylene 0.15
    chlorobenzene 0.43
    dimethyl carbonate 5.36
    n-octane 0.01
    formamide 22.25
    cyclopentanone 7.42
    2-pentanone 1.31
    anisole 0.96
    cyclopentyl methyl ether 1.89
    gamma-butyrolactone 11.88
    1-methoxy-2-propanol 9.9
    pyridine 4.08
    3-pentanone 1.13
    furfural 13.82
    n-dodecane 0.01
    diethylene glycol 11.3
    diisopropyl ether 0.13
    tert-amyl alcohol 0.38
    acetylacetone 4.94
    n-hexadecane 0.01
    acetophenone 1.43
    methyl propionate 2.74
    isopentyl acetate 0.52
    trichloroethylene 4.46
    n-nonanol 0.52
    cyclohexanol 0.41
    benzyl alcohol 1.34
    2-ethylhexanol 0.17
    isooctanol 0.38
    dipropyl ether 0.47
    1,2-dichlorobenzene 0.52
    ethyl lactate 1.74
    propylene carbonate 4.11
    n-methylformamide 16.7
    2-pentanol 0.25
    n-pentane 0.02
    1-propoxy-2-propanol 3.61
    1-methoxy-2-propyl acetate 3.42
    2-(2-methoxypropoxy) propanol 3.98
    mesitylene 0.14
    ε-caprolactone 3.32
    p-cymene 0.12
    epichlorohydrin 10.05
    1,1,1-trichloroethane 0.62
    2-aminoethanol 5.37
    morpholine-4-carbaldehyde 37.63
    sulfolane 27.39
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.04
    n-hexyl acetate 1.28
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.9
    sec-butyl acetate 0.38
    tert-butyl acetate 1.02
    decalin 0.01
    glycerin 15.91
    diglyme 13.57
    acrylic acid 6.95
    isopropyl myristate 0.26
    n-butyric acid 2.48
    acetyl acetate 2.25
    di(2-ethylhexyl) phthalate 0.69
    ethyl propionate 0.74
    nitromethane 31.19
    1,2-diethoxyethane 1.58
    benzonitrile 0.72
    trioctyl phosphate 0.42
    1-bromopropane 0.25
    gamma-valerolactone 26.86
    n-decanol 0.27
    triethyl phosphate 0.54
    4-methyl-2-pentanol 0.17
    propionitrile 0.59
    vinylene carbonate 5.04
    1,1,2-trichlorotrifluoroethane 24.98
    DMS 2.01
    cumene 0.09
    2-octanol 0.27
    2-hexanone 0.59
    octyl acetate 0.55
    limonene 0.15
    1,2-dimethoxyethane 7.94
    ethyl orthosilicate 0.47
    tributyl phosphate 0.36
    diacetone alcohol 2.98
    N,N-dimethylaniline 0.81
    acrylonitrile 1.74
    aniline 0.96
    1,3-propanediol 4.21
    bromobenzene 0.35
    dibromomethane 0.9
    1,1,2,2-tetrachloroethane 2.97
    2-methyl-cyclohexyl acetate 0.58
    tetrabutyl urea 0.67
    diisobutyl methanol 0.12
    2-phenylethanol 1.13
    styrene 0.17
    dioctyl adipate 0.73
    dimethyl sulfate 13.56
    ethyl butyrate 0.62
    methyl lactate 7.98
    butyl lactate 2.02
    diethyl carbonate 0.45
    propanediol butyl ether 5.85
    triethyl orthoformate 0.81
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 2.84
    morpholine 8.58
    tert-butylamine 0.13
    n-dodecanol 0.14
    dimethoxymethane 18.45
    ethylene carbonate 2.79
    cyrene 8.28
    2-ethoxyethyl acetate 3.88
    2-ethylhexyl acetate 0.37
    1,2,4-trichlorobenzene 0.96
    4-methylpyridine 1.85
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.12
    DEF 3.38
    dimethyl isosorbide 7.36
    tetrachloroethylene 2.27
    eugenol 3.04
    triacetin 3.82
    span 80 3.77
    1,4-butanediol 1.43
    1,1-dichloroethane 0.61
    2-methyl-1-pentanol 0.24
    methyl formate 13.81
    2-methyl-1-butanol 0.33
    n-decane 0.02
    butyronitrile 0.39
    3,7-dimethyl-1-octanol 0.25
    1-chlorooctane 0.13
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.94
    tetrahydropyran 1.54
    tert-amyl methyl ether 0.41
    2,5,8-trioxanonane 8.1
    1-hexene 0.05
    2-isopropoxyethanol 2.49
    2,2,2-trifluoroethanol 8.44
    methyl butyrate 0.97

    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