(1I(2),3I(2),22I+/-,25S)-1-[[2-O-(6-Deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranosyl]oxy]-3,22-dihydroxyfurost-5-en-26-yl I(2)-D-glucopyranoside

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  • Identifiers

    CAS number
    105798-62-7

    Molecular formula
    C44H72O18

    SMILES
    C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@@H](C[C@@H](C5)O)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)C)C)O[C@@]1(CC[C@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.27%
    Sweet 35.68%
    Woody 28.1%
    Cooling 25.28%
    Spicy 22.35%
    Mint 22.08%
    Vanilla 20.11%
    Milky 20.05%
    Warm 18.16%
    Balsamic 17.94%

     

    Flavor
    Bitter 47.73%
    Fatty 39.51%
    Sweet 38.68%
    Odorless 35.05%
    Sweet-like 28.85%
    Metallic 22.47%
    Bland 22.1%
    Cauliflower 21.44%
    Cedarleaf 21.08%
    Mentholic 21.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    4.66 (weak acid)

    Molecular weight
    889.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2797°C

    Flash point

    • 245.64 ˚C est.

  • Synonyms

    • DTXSID501102719
    • (1I(2),3I(2),22I+/-,25S)-1-[[2-O-(6-Deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranosyl]oxy]-3,22-dihydroxyfurost-5-en-26-yl I(2)-D-glucopyranoside
    • 105798-62-7
    • 105798-62-7

  • Applications

    For the compound (1I(2),3I(2),22I+/-,25S)-1-[[2-O-(6-Deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranosyl]oxy]-3,22-dihydroxyfurost-5-en-26-yl I(2)-D-glucopyranoside (CAS 105798-62-7), practical applications are typically centered on cosmetics and personal care, household and industrial cleaning formulations, coatings/inks systems, and polymer material processing, as well as pharmaceutical contexts as an intermediate or formulation excipient; it functions as a surfactant, emulsifier, stabilizer and wetting/dispersing agent, and may be considered as an additive in surface-treatment or formulation workflows to enhance solubility and dispersion.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.6
    methanol 33.72
    isopropanol 0.73
    water 0.35
    ethyl acetate 2.82
    n-propanol 1.81
    acetone 4.88
    n-butanol 0.92
    acetonitrile 1.9
    DMF 44.49
    toluene 0.6
    isobutanol 0.64
    1,4-dioxane 11.86
    methyl acetate 3.15
    THF 18.73
    2-butanone 2.99
    n-pentanol 0.76
    sec-butanol 0.54
    n-hexane 0.02
    ethylene glycol 7.8
    NMP 50.81
    cyclohexane 0.05
    DMSO 63.73
    n-butyl acetate 1.22
    n-octanol 1.2
    chloroform 4.54
    n-propyl acetate 1.31
    acetic acid 45.07
    dichloromethane 4.86
    cyclohexanone 5.89
    propylene glycol 4.92
    isopropyl acetate 1.63
    DMAc 37.28
    2-ethoxyethanol 12.8
    isopentanol 0.53
    n-heptane 0.05
    ethyl formate 3.95
    1,2-dichloroethane 2.05
    n-hexanol 0.7
    2-methoxyethanol 32.39
    isobutyl acetate 0.69
    tetrachloromethane 0.58
    n-pentyl acetate 2.9
    transcutol 24.64
    n-heptanol 1.47
    ethylbenzene 0.25
    MIBK 1.31
    2-propoxyethanol 12.43
    tert-butanol 0.48
    MTBE 0.5
    2-butoxyethanol 11.24
    propionic acid 5.06
    o-xylene 0.43
    formic acid 75.06
    diethyl ether 1.05
    m-xylene 0.45
    p-xylene 0.27
    chlorobenzene 0.86
    dimethyl carbonate 8.03
    n-octane 0.03
    formamide 47.67
    cyclopentanone 12.32
    2-pentanone 2.45
    anisole 1.55
    cyclopentyl methyl ether 3.03
    gamma-butyrolactone 20.07
    1-methoxy-2-propanol 12.99
    pyridine 6.58
    3-pentanone 2.03
    furfural 29.15
    n-dodecane 0.02
    diethylene glycol 18.27
    diisopropyl ether 0.21
    tert-amyl alcohol 0.47
    acetylacetone 9.15
    n-hexadecane 0.03
    acetophenone 2.67
    methyl propionate 4.5
    isopentyl acetate 1.06
    trichloroethylene 7.26
    n-nonanol 1.27
    cyclohexanol 0.76
    benzyl alcohol 2.41
    2-ethylhexanol 0.4
    isooctanol 0.89
    dipropyl ether 0.82
    1,2-dichlorobenzene 1.06
    ethyl lactate 2.89
    propylene carbonate 7.41
    n-methylformamide 25.04
    2-pentanol 0.38
    n-pentane 0.03
    1-propoxy-2-propanol 5.53
    1-methoxy-2-propyl acetate 5.22
    2-(2-methoxypropoxy) propanol 7.21
    mesitylene 0.24
    ε-caprolactone 7.39
    p-cymene 0.27
    epichlorohydrin 17.78
    1,1,1-trichloroethane 0.98
    2-aminoethanol 8.45
    morpholine-4-carbaldehyde 59.7
    sulfolane 47.63
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.04
    n-hexyl acetate 2.99
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 11.43
    sec-butyl acetate 0.72
    tert-butyl acetate 1.59
    decalin 0.03
    glycerin 22.14
    diglyme 23.61
    acrylic acid 12.38
    isopropyl myristate 0.66
    n-butyric acid 4.99
    acetyl acetate 4.39
    di(2-ethylhexyl) phthalate 1.71
    ethyl propionate 1.37
    nitromethane 56.11
    1,2-diethoxyethane 3.06
    benzonitrile 1.79
    trioctyl phosphate 1.1
    1-bromopropane 0.47
    gamma-valerolactone 52.34
    n-decanol 0.69
    triethyl phosphate 1.06
    4-methyl-2-pentanol 0.28
    propionitrile 1.03
    vinylene carbonate 11.05
    1,1,2-trichlorotrifluoroethane 40.44
    DMS 3.51
    cumene 0.17
    2-octanol 0.63
    2-hexanone 1.22
    octyl acetate 1.4
    limonene 0.33
    1,2-dimethoxyethane 12.01
    ethyl orthosilicate 0.94
    tributyl phosphate 0.88
    diacetone alcohol 4.38
    N,N-dimethylaniline 1.24
    acrylonitrile 3.08
    aniline 1.5
    1,3-propanediol 7.15
    bromobenzene 0.69
    dibromomethane 1.68
    1,1,2,2-tetrachloroethane 4.62
    2-methyl-cyclohexyl acetate 1.26
    tetrabutyl urea 1.58
    diisobutyl methanol 0.24
    2-phenylethanol 2.27
    styrene 0.3
    dioctyl adipate 1.84
    dimethyl sulfate 19.41
    ethyl butyrate 1.21
    methyl lactate 11.13
    butyl lactate 4.27
    diethyl carbonate 0.81
    propanediol butyl ether 11.1
    triethyl orthoformate 1.4
    p-tert-butyltoluene 0.26
    methyl 4-tert-butylbenzoate 5.42
    morpholine 12.62
    tert-butylamine 0.14
    n-dodecanol 0.39
    dimethoxymethane 23.95
    ethylene carbonate 6.16
    cyrene 15.58
    2-ethoxyethyl acetate 8.51
    2-ethylhexyl acetate 0.82
    1,2,4-trichlorobenzene 1.71
    4-methylpyridine 3.19
    dibutyl ether 0.55
    2,6-dimethyl-4-heptanol 0.24
    DEF 6.19
    dimethyl isosorbide 13.23
    tetrachloroethylene 4.2
    eugenol 6.42
    triacetin 7.65
    span 80 7.08
    1,4-butanediol 2.84
    1,1-dichloroethane 0.97
    2-methyl-1-pentanol 0.47
    methyl formate 22.43
    2-methyl-1-butanol 0.55
    n-decane 0.06
    butyronitrile 0.77
    3,7-dimethyl-1-octanol 0.6
    1-chlorooctane 0.29
    1-chlorotetradecane 0.09
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.47
    tetrahydropyran 2.58
    tert-amyl methyl ether 0.56
    2,5,8-trioxanonane 14.72
    1-hexene 0.08
    2-isopropoxyethanol 4.67
    2,2,2-trifluoroethanol 18.62
    methyl butyrate 1.74

    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