2-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)propane

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  • Identifiers

    CAS number
    147742-24-3

    Molecular formula
    C14H26O10

    SMILES
    CC(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@](CO2)(CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 67.77%
    Sweet 41.41%
    Alcoholic 26.56%
    Caramellic 23.88%
    Milky 21.64%
    Cooling 19.88%
    Vanilla 19.42%
    Buttery 18.31%
    Creamy 17.7%
    Malty 17.34%

     

    Flavor
    Sweet 68.44%
    Odorless 47.94%
    Bitter 47.66%
    Sweet-like 31.56%
    Fatty 27.63%
    Cauliflower 22.43%
    Very slight 21.89%
    Mentholic 20.65%
    Soup 20.64%
    Alkaline 20.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.0

    pKa est.
    5.12 (weak acid)

    Molecular weight
    354.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1827°C

    Flash point

    • 231.02 ˚C est.

  • Synonyms

    • 147742-24-3
    • CHEMBL256538
    • DTXSID901194473
    • 2-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)propane
    • 1-Methylethyl 6-O-D-apio-I(2)-D-furanosyl-I(2)-D-glucopyranoside
    • beta-D-glucopyranoside, 1-methylethyl 6-O-D-apio-beta-D-furanosyl-
    • Propan-2-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-glucopyranoside
    • 147742-24-3

  • Applications

    2-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)propane is a glycosylated glycerol derivative, primarily used as an intermediate and building block in chemical synthesis. It is evaluated as a glycosyl donor for enzymatic or chemical glycosylations to access glycoside natural product analogs; it can act as a precursor for glycoside-based surfactants and emulsifiers used in cosmetics and household products; it may also function as a hydrophilic modifier or solubilizer in pharmaceutical formulations and polymer systems, with use subject to local regulations and formulation limits (CAS 147742-24-3).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.24
    methanol 200.09
    isopropanol 10.24
    water 421.44
    ethyl acetate 4.83
    n-propanol 14.63
    acetone 11.02
    n-butanol 16.36
    acetonitrile 5.13
    DMF 270.77
    toluene 1.21
    isobutanol 5.91
    1,4-dioxane 19.63
    methyl acetate 3.49
    THF 26.39
    2-butanone 5.36
    n-pentanol 5.37
    sec-butanol 7.34
    n-hexane 0.14
    ethylene glycol 198.71
    NMP 152.33
    cyclohexane 1.07
    DMSO 836.42
    n-butyl acetate 1.54
    n-octanol 4.57
    chloroform 2.73
    n-propyl acetate 1.73
    acetic acid 154.23
    dichloromethane 3.51
    cyclohexanone 15.67
    propylene glycol 91.79
    isopropyl acetate 3.34
    DMAc 147.47
    2-ethoxyethanol 74.95
    isopentanol 7.59
    n-heptane 0.62
    ethyl formate 8.89
    1,2-dichloroethane 3.11
    n-hexanol 4.22
    2-methoxyethanol 242.81
    isobutyl acetate 0.88
    tetrachloromethane 0.8
    n-pentyl acetate 2.81
    transcutol 78.86
    n-heptanol 5.41
    ethylbenzene 0.59
    MIBK 4.35
    2-propoxyethanol 33.58
    tert-butanol 7.64
    MTBE 1.97
    2-butoxyethanol 24.76
    propionic acid 20.44
    o-xylene 1.6
    formic acid 866.5
    diethyl ether 3.51
    m-xylene 1.3
    p-xylene 0.66
    chlorobenzene 0.69
    dimethyl carbonate 13.84
    n-octane 0.43
    formamide 591.84
    cyclopentanone 22.86
    2-pentanone 8.16
    anisole 2.13
    cyclopentyl methyl ether 9.14
    gamma-butyrolactone 32.89
    1-methoxy-2-propanol 105.17
    pyridine 7.38
    3-pentanone 5.06
    furfural 37.86
    n-dodecane 0.26
    diethylene glycol 95.25
    diisopropyl ether 1.01
    tert-amyl alcohol 6.81
    acetylacetone 17.47
    n-hexadecane 0.29
    acetophenone 4.76
    methyl propionate 8.83
    isopentyl acetate 1.61
    trichloroethylene 5.61
    n-nonanol 4.38
    cyclohexanol 12.45
    benzyl alcohol 6.93
    2-ethylhexanol 2.24
    isooctanol 3.84
    dipropyl ether 2.66
    1,2-dichlorobenzene 0.97
    ethyl lactate 10.26
    propylene carbonate 12.16
    n-methylformamide 127.22
    2-pentanol 6.85
    n-pentane 0.37
    1-propoxy-2-propanol 16.06
    1-methoxy-2-propyl acetate 8.41
    2-(2-methoxypropoxy) propanol 21.21
    mesitylene 1.01
    ε-caprolactone 16.91
    p-cymene 0.91
    epichlorohydrin 19.98
    1,1,1-trichloroethane 0.99
    2-aminoethanol 151.69
    morpholine-4-carbaldehyde 136.17
    sulfolane 133.13
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 8.59
    n-hexyl acetate 3.62
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 31.98
    sec-butyl acetate 1.21
    tert-butyl acetate 4.12
    decalin 0.25
    glycerin 309.5
    diglyme 52.87
    acrylic acid 43.01
    isopropyl myristate 1.53
    n-butyric acid 24.26
    acetyl acetate 4.91
    di(2-ethylhexyl) phthalate 3.48
    ethyl propionate 2.38
    nitromethane 114.43
    1,2-diethoxyethane 6.22
    benzonitrile 2.53
    trioctyl phosphate 2.87
    1-bromopropane 1.12
    gamma-valerolactone 71.39
    n-decanol 3.06
    triethyl phosphate 2.82
    4-methyl-2-pentanol 2.95
    propionitrile 2.56
    vinylene carbonate 13.21
    1,1,2-trichlorotrifluoroethane 80.07
    DMS 4.61
    cumene 0.5
    2-octanol 2.94
    2-hexanone 2.11
    octyl acetate 2.5
    limonene 1.67
    1,2-dimethoxyethane 31.64
    ethyl orthosilicate 2.54
    tributyl phosphate 2.23
    diacetone alcohol 21.15
    N,N-dimethylaniline 2.87
    acrylonitrile 6.24
    aniline 4.8
    1,3-propanediol 144.92
    bromobenzene 0.5
    dibromomethane 1.9
    1,1,2,2-tetrachloroethane 5.97
    2-methyl-cyclohexyl acetate 2.48
    tetrabutyl urea 4.83
    diisobutyl methanol 1.73
    2-phenylethanol 4.87
    styrene 0.54
    dioctyl adipate 3.38
    dimethyl sulfate 42.98
    ethyl butyrate 2.07
    methyl lactate 44.7
    butyl lactate 7.63
    diethyl carbonate 1.51
    propanediol butyl ether 33.8
    triethyl orthoformate 2.92
    p-tert-butyltoluene 0.97
    methyl 4-tert-butylbenzoate 10.42
    morpholine 37.64
    tert-butylamine 2.26
    n-dodecanol 2.17
    dimethoxymethane 63.42
    ethylene carbonate 9.48
    cyrene 43.75
    2-ethoxyethyl acetate 6.19
    2-ethylhexyl acetate 1.16
    1,2,4-trichlorobenzene 1.66
    4-methylpyridine 4.69
    dibutyl ether 1.86
    2,6-dimethyl-4-heptanol 1.73
    DEF 30.3
    dimethyl isosorbide 27.02
    tetrachloroethylene 5.39
    eugenol 12.71
    triacetin 9.98
    span 80 18.65
    1,4-butanediol 41.8
    1,1-dichloroethane 1.06
    2-methyl-1-pentanol 3.57
    methyl formate 63.77
    2-methyl-1-butanol 7.22
    n-decane 0.49
    butyronitrile 3.45
    3,7-dimethyl-1-octanol 3.01
    1-chlorooctane 1.2
    1-chlorotetradecane 0.49
    n-nonane 0.48
    undecane 0.34
    tert-butylcyclohexane 0.14
    cyclooctane 0.66
    cyclopentanol 13.2
    tetrahydropyran 7.7
    tert-amyl methyl ether 3.22
    2,5,8-trioxanonane 41.25
    1-hexene 0.33
    2-isopropoxyethanol 23.29
    2,2,2-trifluoroethanol 93.82
    methyl butyrate 3.55

    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