(2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyacetic acid

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  • Identifiers

    CAS number
    190323-48-9

    Molecular formula
    C19H26O12

    SMILES
    C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H](C3=CC=CC=C3)C(=O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.46%
    Sweet 53.78%
    Vanilla 23.86%
    Caramellic 23.26%
    Bitter 22.34%
    Milky 19.02%
    Savory 17.87%
    Spicy 17.75%
    Balsamic 17.75%
    Cooling 17.39%

     

    Flavor
    Bitter 57.16%
    Odorless 44.57%
    Sweet 40.12%
    Sweet-like 30.36%
    Bland 27.2%
    Fatty 24.73%
    Very mild 22.23%
    Cauliflower 20.63%
    Very slight 20.48%
    Naphthalic 19.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.8

    pKa est.
    4.15 (weak acid)

    Molecular weight
    446.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3127°C

    Flash point

    • 256.88 ˚C est.

  • Synonyms

    • 190323-48-9
    • DTXSID601150254
    • (2R)-Phenyl[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]acetic acid
    • (I+/-R)-I+/--[(6-O-I(2)-D-Xylopyranosyl-I(2)-D-glucopyranosyl)oxy]benzeneacetic acid
    • 190323-48-9

  • Applications

    Because of its phenyl glycoside-like structure and multiple hydroxyl groups, this compound is commonly evaluated as a pharmaceutical synthesis intermediate and a chiral building block for glycosylated derivatives. It can serve as a precursor for glycosylated compounds in medicinal chemistry, enabling the generation of diverse analogs and prodrug concepts. In cosmetics and personal care, such glycosylated scaffolds are researched as carriers for actives or as hydrophilic fragments to improve formulation properties. In fragrance and flavor research, sugar–aryl glycosides are examined as aroma precursors or to modulate odor release characteristics. Additionally, it can be used as a reference or starting material in analytical and library-generation efforts aimed at glycoside-containing compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.95
    methanol 26.3
    isopropanol 3.61
    water 66.09
    ethyl acetate 1.6
    n-propanol 4.66
    acetone 6.26
    n-butanol 3.92
    acetonitrile 2.03
    DMF 77.76
    toluene 0.81
    isobutanol 1.38
    1,4-dioxane 6.87
    methyl acetate 1.43
    THF 9.06
    2-butanone 2.28
    n-pentanol 1.16
    sec-butanol 2.17
    n-hexane 0.06
    ethylene glycol 68.1
    NMP 66.57
    cyclohexane 0.38
    DMSO 356.46
    n-butyl acetate 0.33
    n-octanol 1.12
    chloroform 0.28
    n-propyl acetate 0.34
    acetic acid 42.12
    dichloromethane 0.4
    cyclohexanone 4.17
    propylene glycol 38.04
    isopropyl acetate 0.94
    DMAc 63.68
    2-ethoxyethanol 20.6
    isopentanol 1.54
    n-heptane 0.29
    ethyl formate 1.71
    1,2-dichloroethane 0.63
    n-hexanol 1.07
    2-methoxyethanol 81.32
    isobutyl acetate 0.12
    tetrachloromethane 0.13
    n-pentyl acetate 0.65
    transcutol 28.72
    n-heptanol 1.49
    ethylbenzene 0.22
    MIBK 1.13
    2-propoxyethanol 10.92
    tert-butanol 2.35
    MTBE 0.6
    2-butoxyethanol 6.87
    propionic acid 6.05
    o-xylene 0.78
    formic acid 193.14
    diethyl ether 1.52
    m-xylene 0.61
    p-xylene 0.2
    chlorobenzene 0.16
    dimethyl carbonate 5.84
    n-octane 0.19
    formamide 160.38
    cyclopentanone 7.61
    2-pentanone 2.93
    anisole 0.6
    cyclopentyl methyl ether 3.8
    gamma-butyrolactone 8.62
    1-methoxy-2-propanol 39.33
    pyridine 3.38
    3-pentanone 1.99
    furfural 8.91
    n-dodecane 0.1
    diethylene glycol 34.09
    diisopropyl ether 0.37
    tert-amyl alcohol 1.8
    acetylacetone 6.44
    n-hexadecane 0.1
    acetophenone 1.06
    methyl propionate 3.56
    isopentyl acetate 0.25
    trichloroethylene 0.84
    n-nonanol 1.15
    cyclohexanol 3.61
    benzyl alcohol 1.63
    2-ethylhexanol 0.46
    isooctanol 0.83
    dipropyl ether 1.25
    1,2-dichlorobenzene 0.16
    ethyl lactate 2.36
    propylene carbonate 2.13
    n-methylformamide 31.59
    2-pentanol 1.94
    n-pentane 0.19
    1-propoxy-2-propanol 5.98
    1-methoxy-2-propyl acetate 2.36
    2-(2-methoxypropoxy) propanol 5.9
    mesitylene 0.38
    ε-caprolactone 3.69
    p-cymene 0.26
    epichlorohydrin 4.64
    1,1,1-trichloroethane 0.16
    2-aminoethanol 43.99
    morpholine-4-carbaldehyde 46.6
    sulfolane 39.35
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 2.8
    n-hexyl acetate 0.72
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 10.86
    sec-butyl acetate 0.22
    tert-butyl acetate 0.97
    decalin 0.07
    glycerin 132.76
    diglyme 16.26
    acrylic acid 13.07
    isopropyl myristate 0.33
    n-butyric acid 5.24
    acetyl acetate 1.38
    di(2-ethylhexyl) phthalate 0.6
    ethyl propionate 0.62
    nitromethane 33.94
    1,2-diethoxyethane 2.2
    benzonitrile 0.45
    trioctyl phosphate 0.57
    1-bromopropane 0.29
    gamma-valerolactone 21.41
    n-decanol 0.89
    triethyl phosphate 0.54
    4-methyl-2-pentanol 0.7
    propionitrile 0.8
    vinylene carbonate 2.08
    1,1,2-trichlorotrifluoroethane 16.98
    DMS 1.25
    cumene 0.13
    2-octanol 0.75
    2-hexanone 0.5
    octyl acetate 0.63
    limonene 0.46
    1,2-dimethoxyethane 7.95
    ethyl orthosilicate 0.52
    tributyl phosphate 0.4
    diacetone alcohol 6.57
    N,N-dimethylaniline 0.81
    acrylonitrile 1.82
    aniline 2.3
    1,3-propanediol 41.92
    bromobenzene 0.11
    dibromomethane 0.24
    1,1,2,2-tetrachloroethane 0.99
    2-methyl-cyclohexyl acetate 0.41
    tetrabutyl urea 1.09
    diisobutyl methanol 0.42
    2-phenylethanol 1.14
    styrene 0.21
    dioctyl adipate 0.7
    dimethyl sulfate 16.03
    ethyl butyrate 0.48
    methyl lactate 17.26
    butyl lactate 1.84
    diethyl carbonate 0.32
    propanediol butyl ether 9.9
    triethyl orthoformate 0.73
    p-tert-butyltoluene 0.29
    methyl 4-tert-butylbenzoate 2.49
    morpholine 13.49
    tert-butylamine 0.69
    n-dodecanol 0.65
    dimethoxymethane 23.86
    ethylene carbonate 1.56
    cyrene 10.77
    2-ethoxyethyl acetate 1.71
    2-ethylhexyl acetate 0.18
    1,2,4-trichlorobenzene 0.27
    4-methylpyridine 1.76
    dibutyl ether 0.59
    2,6-dimethyl-4-heptanol 0.42
    DEF 9.1
    dimethyl isosorbide 7.18
    tetrachloroethylene 0.93
    eugenol 3.01
    triacetin 2.26
    span 80 5.91
    1,4-butanediol 9.52
    1,1-dichloroethane 0.22
    2-methyl-1-pentanol 0.58
    methyl formate 16.41
    2-methyl-1-butanol 1.54
    n-decane 0.19
    butyronitrile 0.75
    3,7-dimethyl-1-octanol 0.52
    1-chlorooctane 0.31
    1-chlorotetradecane 0.13
    n-nonane 0.19
    undecane 0.13
    tert-butylcyclohexane 0.04
    cyclooctane 0.25
    cyclopentanol 4.29
    tetrahydropyran 2.85
    tert-amyl methyl ether 1.01
    2,5,8-trioxanonane 13.94
    1-hexene 0.14
    2-isopropoxyethanol 5.69
    2,2,2-trifluoroethanol 21.04
    methyl butyrate 0.72

    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