I(2)-D-Glucopyranosiduronic acid, (3I(2),4I(2),22I(2))-22-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a2)-

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  • Identifiers

    CAS number
    130444-08-5

    Molecular formula
    C60H98O28

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(C[C@H]8O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 63.3%
    Sweet 31.75%
    Woody 30.66%
    Cooling 24.13%
    Spicy 23.93%
    Mint 19.63%
    Dry 19.53%
    Balsamic 19.25%
    Amber 19.16%
    Warm 18.59%

     

    Flavor
    Bitter 50.79%
    Sweet 45.2%
    Odorless 37.5%
    Fatty 32.29%
    Sweet-like 29.17%
    Bland 23.32%
    Cauliflower 21.07%
    Cedarleaf 21.04%
    Mentholic 20.99%
    Patchouli 20.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    2.72 (strong acid)

    Molecular weight
    1267.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3604°C

    Flash point

    • 198.14 ˚C est.

  • Synonyms

    • DTXSID701098675
    • 130444-08-5
    • I(2)-D-Glucopyranosiduronic acid, (3I(2),4I(2),22I(2))-22-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a2)-
    • 130444-08-5

  • Applications

    I(2)-D-Glucopyranosiduronic acid, (3I(2),4I(2),22I(2))-22-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a2)- (CAS 130444-08-5) is a complex oleanane-type glycoside; owing to surfactant and emulsifying properties, it may be evaluated for real-world applications such as cosmetics and personal care, household cleaners, coatings or inks, pharmaceutical excipients or intermediates, and agricultural formulation aids such as adjuvants or emulsion stabilizers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.95
    methanol 19.46
    isopropanol 0.59
    water 0.14
    ethyl acetate 1.12
    n-propanol 0.9
    acetone 3.09
    n-butanol 0.35
    acetonitrile 1.15
    DMF 38.5
    toluene 0.31
    isobutanol 0.33
    1,4-dioxane 5.58
    methyl acetate 1.76
    THF 9.19
    2-butanone 1.55
    n-pentanol 0.3
    sec-butanol 0.32
    n-hexane 0.02
    ethylene glycol 5.04
    NMP 29.25
    cyclohexane 0.03
    DMSO 44.45
    n-butyl acetate 0.53
    n-octanol 0.46
    chloroform 2.0
    n-propyl acetate 0.6
    acetic acid 17.99
    dichloromethane 2.11
    cyclohexanone 1.74
    propylene glycol 3.55
    isopropyl acetate 0.64
    DMAc 27.76
    2-ethoxyethanol 5.32
    isopentanol 0.2
    n-heptane 0.03
    ethyl formate 1.53
    1,2-dichloroethane 1.06
    n-hexanol 0.26
    2-methoxyethanol 13.1
    isobutyl acetate 0.31
    tetrachloromethane 0.27
    n-pentyl acetate 1.03
    transcutol 10.71
    n-heptanol 0.53
    ethylbenzene 0.12
    MIBK 0.52
    2-propoxyethanol 5.32
    tert-butanol 0.38
    MTBE 0.29
    2-butoxyethanol 4.05
    propionic acid 2.19
    o-xylene 0.23
    formic acid 33.8
    diethyl ether 0.54
    m-xylene 0.23
    p-xylene 0.15
    chlorobenzene 0.33
    dimethyl carbonate 4.42
    n-octane 0.02
    formamide 22.86
    cyclopentanone 5.11
    2-pentanone 0.97
    anisole 0.7
    cyclopentyl methyl ether 1.21
    gamma-butyrolactone 8.65
    1-methoxy-2-propanol 6.36
    pyridine 3.13
    3-pentanone 0.9
    furfural 11.05
    n-dodecane 0.01
    diethylene glycol 9.42
    diisopropyl ether 0.11
    tert-amyl alcohol 0.29
    acetylacetone 3.8
    n-hexadecane 0.02
    acetophenone 1.23
    methyl propionate 2.16
    isopentyl acetate 0.41
    trichloroethylene 3.46
    n-nonanol 0.48
    cyclohexanol 0.28
    benzyl alcohol 0.98
    2-ethylhexanol 0.15
    isooctanol 0.33
    dipropyl ether 0.45
    1,2-dichlorobenzene 0.41
    ethyl lactate 1.44
    propylene carbonate 2.7
    n-methylformamide 15.25
    2-pentanol 0.17
    n-pentane 0.02
    1-propoxy-2-propanol 2.74
    1-methoxy-2-propyl acetate 2.57
    2-(2-methoxypropoxy) propanol 3.38
    mesitylene 0.13
    ε-caprolactone 2.03
    p-cymene 0.12
    epichlorohydrin 6.88
    1,1,1-trichloroethane 0.48
    2-aminoethanol 4.39
    morpholine-4-carbaldehyde 27.7
    sulfolane 23.22
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.27
    n-hexyl acetate 1.0
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.65
    sec-butyl acetate 0.31
    tert-butyl acetate 0.74
    decalin 0.01
    glycerin 12.71
    diglyme 9.91
    acrylic acid 5.61
    isopropyl myristate 0.24
    n-butyric acid 1.38
    acetyl acetate 1.65
    di(2-ethylhexyl) phthalate 0.62
    ethyl propionate 0.6
    nitromethane 26.7
    1,2-diethoxyethane 1.49
    benzonitrile 0.66
    trioctyl phosphate 0.4
    1-bromopropane 0.23
    gamma-valerolactone 17.35
    n-decanol 0.28
    triethyl phosphate 0.46
    4-methyl-2-pentanol 0.11
    propionitrile 0.58
    vinylene carbonate 3.48
    1,1,2-trichlorotrifluoroethane 17.89
    DMS 1.76
    cumene 0.09
    2-octanol 0.27
    2-hexanone 0.57
    octyl acetate 0.51
    limonene 0.15
    1,2-dimethoxyethane 6.27
    ethyl orthosilicate 0.39
    tributyl phosphate 0.31
    diacetone alcohol 2.17
    N,N-dimethylaniline 0.72
    acrylonitrile 1.72
    aniline 0.64
    1,3-propanediol 2.65
    bromobenzene 0.29
    dibromomethane 0.78
    1,1,2,2-tetrachloroethane 2.42
    2-methyl-cyclohexyl acetate 0.49
    tetrabutyl urea 0.72
    diisobutyl methanol 0.1
    2-phenylethanol 0.89
    styrene 0.15
    dioctyl adipate 0.67
    dimethyl sulfate 11.56
    ethyl butyrate 0.51
    methyl lactate 5.58
    butyl lactate 1.7
    diethyl carbonate 0.38
    propanediol butyl ether 4.85
    triethyl orthoformate 0.67
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 2.44
    morpholine 5.61
    tert-butylamine 0.11
    n-dodecanol 0.16
    dimethoxymethane 14.77
    ethylene carbonate 1.85
    cyrene 7.16
    2-ethoxyethyl acetate 3.14
    2-ethylhexyl acetate 0.3
    1,2,4-trichlorobenzene 0.72
    4-methylpyridine 1.34
    dibutyl ether 0.24
    2,6-dimethyl-4-heptanol 0.1
    DEF 2.64
    dimethyl isosorbide 6.33
    tetrachloroethylene 1.96
    eugenol 2.71
    triacetin 3.19
    span 80 3.18
    1,4-butanediol 1.3
    1,1-dichloroethane 0.49
    2-methyl-1-pentanol 0.17
    methyl formate 14.32
    2-methyl-1-butanol 0.21
    n-decane 0.03
    butyronitrile 0.31
    3,7-dimethyl-1-octanol 0.22
    1-chlorooctane 0.14
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.63
    tetrahydropyran 1.06
    tert-amyl methyl ether 0.31
    2,5,8-trioxanonane 6.47
    1-hexene 0.06
    2-isopropoxyethanol 2.12
    2,2,2-trifluoroethanol 7.49
    methyl butyrate 0.77

    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