I(2)-D-Glucopyranosiduronic acid, (3I(2),21I(2))-28-(I(2)-D-glucopyranosyloxy)-21-hydroxy-28-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a3)-O-[I(2)-D-glucopyranosyl-(1a2)]-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    358732-35-1

    Molecular formula
    C54H86O25

    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@H](C5)O)(C)C)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)C(=O)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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.6%
    Woody 32.42%
    Sweet 30.29%
    Spicy 27.33%
    Cooling 26.75%
    Balsamic 22.16%
    Mint 21.66%
    Dry 20.34%
    Amber 19.77%
    Warm 19.65%

     

    Flavor
    Bitter 60.8%
    Odorless 35.15%
    Sweet 33.91%
    Fatty 29.01%
    Sweet-like 28.81%
    Bland 25.88%
    Cedarleaf 21.41%
    Patchouli 20.61%
    Mentholic 20.42%
    Cauliflower 20.32%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    1.63 (strong acid)

    Molecular weight
    1135.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3552°C

    Flash point

    • 216.93 ˚C est.

  • Synonyms

    • DTXSID501099689
    • 358732-35-1
    • I(2)-D-Glucopyranosiduronic acid, (3I(2),21I(2))-28-(I(2)-D-glucopyranosyloxy)-21-hydroxy-28-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a3)-O-[I(2)-D-glucopyranosyl-(1a2)]-
    • 358732-35-1

  • Applications

    Chemical name and CAS: I(2)-D-Glucopyranosiduronic acid, (3I(2),21I(2))-28-(I(2)-D-glucopyranosyloxy)-21-hydroxy-28-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a3)-O-[I(2)-D-glucopyranosyl-(1a2)]-; CAS 358732-35-1. Real-world applications typically include serving as a synthetic intermediate and scaffold for glycoside/triterpenoid chemistry in pharmaceutical research and SAR studies; acting as a precursor or reference material for glycoside synthesis; functioning as a specialty surfactant or emulsifier candidate for cosmetics and personal care formulations; being explored as a scaffold for agrochemical discovery or plant biology screening; and supporting pharmaceutical research as a SAR exploration tool, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.67
    methanol 21.38
    isopropanol 0.95
    water 0.14
    ethyl acetate 2.03
    n-propanol 1.33
    acetone 5.83
    n-butanol 0.5
    acetonitrile 1.98
    DMF 62.46
    toluene 0.54
    isobutanol 0.51
    1,4-dioxane 9.21
    methyl acetate 3.27
    THF 16.73
    2-butanone 2.78
    n-pentanol 0.44
    sec-butanol 0.5
    n-hexane 0.03
    ethylene glycol 6.27
    NMP 43.46
    cyclohexane 0.05
    DMSO 61.68
    n-butyl acetate 0.78
    n-octanol 0.58
    chloroform 2.96
    n-propyl acetate 0.96
    acetic acid 26.45
    dichloromethane 2.99
    cyclohexanone 2.77
    propylene glycol 4.78
    isopropyl acetate 1.12
    DMAc 46.82
    2-ethoxyethanol 7.3
    isopentanol 0.28
    n-heptane 0.05
    ethyl formate 2.19
    1,2-dichloroethane 1.63
    n-hexanol 0.36
    2-methoxyethanol 19.17
    isobutyl acetate 0.46
    tetrachloromethane 0.39
    n-pentyl acetate 1.35
    transcutol 13.26
    n-heptanol 0.65
    ethylbenzene 0.19
    MIBK 0.82
    2-propoxyethanol 7.12
    tert-butanol 0.68
    MTBE 0.56
    2-butoxyethanol 4.63
    propionic acid 3.3
    o-xylene 0.39
    formic acid 35.53
    diethyl ether 0.93
    m-xylene 0.36
    p-xylene 0.25
    chlorobenzene 0.5
    dimethyl carbonate 7.77
    n-octane 0.03
    formamide 28.24
    cyclopentanone 9.05
    2-pentanone 1.56
    anisole 1.07
    cyclopentyl methyl ether 2.07
    gamma-butyrolactone 14.66
    1-methoxy-2-propanol 9.95
    pyridine 4.99
    3-pentanone 1.62
    furfural 14.64
    n-dodecane 0.02
    diethylene glycol 11.87
    diisopropyl ether 0.18
    tert-amyl alcohol 0.47
    acetylacetone 6.78
    n-hexadecane 0.02
    acetophenone 1.78
    methyl propionate 3.92
    isopentyl acetate 0.57
    trichloroethylene 5.03
    n-nonanol 0.61
    cyclohexanol 0.43
    benzyl alcohol 1.3
    2-ethylhexanol 0.18
    isooctanol 0.4
    dipropyl ether 0.71
    1,2-dichlorobenzene 0.58
    ethyl lactate 2.0
    propylene carbonate 4.16
    n-methylformamide 22.16
    2-pentanol 0.26
    n-pentane 0.03
    1-propoxy-2-propanol 3.68
    1-methoxy-2-propyl acetate 3.65
    2-(2-methoxypropoxy) propanol 3.87
    mesitylene 0.2
    ε-caprolactone 3.04
    p-cymene 0.17
    epichlorohydrin 10.54
    1,1,1-trichloroethane 0.83
    2-aminoethanol 5.52
    morpholine-4-carbaldehyde 39.04
    sulfolane 33.6
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.24
    n-hexyl acetate 1.34
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.45
    sec-butyl acetate 0.49
    tert-butyl acetate 1.26
    decalin 0.02
    glycerin 15.04
    diglyme 12.35
    acrylic acid 8.01
    isopropyl myristate 0.33
    n-butyric acid 2.0
    acetyl acetate 2.83
    di(2-ethylhexyl) phthalate 0.69
    ethyl propionate 1.02
    nitromethane 43.76
    1,2-diethoxyethane 2.09
    benzonitrile 0.89
    trioctyl phosphate 0.47
    1-bromopropane 0.36
    gamma-valerolactone 24.82
    n-decanol 0.35
    triethyl phosphate 0.6
    4-methyl-2-pentanol 0.17
    propionitrile 0.95
    vinylene carbonate 5.03
    1,1,2-trichlorotrifluoroethane 22.46
    DMS 2.69
    cumene 0.12
    2-octanol 0.35
    2-hexanone 0.88
    octyl acetate 0.68
    limonene 0.21
    1,2-dimethoxyethane 9.11
    ethyl orthosilicate 0.51
    tributyl phosphate 0.39
    diacetone alcohol 3.29
    N,N-dimethylaniline 1.05
    acrylonitrile 2.79
    aniline 0.98
    1,3-propanediol 3.81
    bromobenzene 0.42
    dibromomethane 1.17
    1,1,2,2-tetrachloroethane 3.61
    2-methyl-cyclohexyl acetate 0.65
    tetrabutyl urea 0.91
    diisobutyl methanol 0.14
    2-phenylethanol 1.13
    styrene 0.23
    dioctyl adipate 0.88
    dimethyl sulfate 18.55
    ethyl butyrate 0.78
    methyl lactate 8.48
    butyl lactate 1.91
    diethyl carbonate 0.57
    propanediol butyl ether 5.44
    triethyl orthoformate 0.96
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 3.02
    morpholine 9.2
    tert-butylamine 0.19
    n-dodecanol 0.21
    dimethoxymethane 25.12
    ethylene carbonate 2.78
    cyrene 8.57
    2-ethoxyethyl acetate 3.97
    2-ethylhexyl acetate 0.41
    1,2,4-trichlorobenzene 1.0
    4-methylpyridine 2.11
    dibutyl ether 0.36
    2,6-dimethyl-4-heptanol 0.14
    DEF 4.18
    dimethyl isosorbide 7.49
    tetrachloroethylene 2.8
    eugenol 3.03
    triacetin 4.07
    span 80 3.59
    1,4-butanediol 1.73
    1,1-dichloroethane 0.85
    2-methyl-1-pentanol 0.23
    methyl formate 21.37
    2-methyl-1-butanol 0.31
    n-decane 0.05
    butyronitrile 0.46
    3,7-dimethyl-1-octanol 0.28
    1-chlorooctane 0.18
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.05
    tetrahydropyran 1.82
    tert-amyl methyl ether 0.53
    2,5,8-trioxanonane 7.81
    1-hexene 0.09
    2-isopropoxyethanol 2.92
    2,2,2-trifluoroethanol 10.26
    methyl butyrate 1.24

    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