2-(2-Oxo-2H-furo[2,3-h][1]benzopyran-8-yl)propan-2-yl beta-D-glucopyranoside

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  • Identifiers

    CAS number
    161842-80-4

    Molecular formula
    C20H22O9

    SMILES
    CC(C)(C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 54.51%
    Sweet 33.21%
    Vanilla 31.08%
    Milky 26.31%
    Creamy 25.53%
    Caramellic 21.42%
    Savory 19.96%
    Powdery 19.93%
    Dairy 18.53%
    Fruity 17.91%

     

    Flavor
    Bitter 82.98%
    Bland 27.47%
    Odorless 25.43%
    Sweet-like 23.55%
    Cedarleaf 20.45%
    Parsley 19.22%
    Lovage 18.77%
    Naphthalic 18.62%
    Carrot 18.5%
    Eugenol 18.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    6.51 (neutral)

    Molecular weight
    406.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2353°C

    Flash point

    • 272.44 ˚C est.

  • Synonyms

    • DTXSID601140108
    • 2-(2-Oxo-2H-furo[2,3-h][1]benzopyran-8-yl)propan-2-yl beta-D-glucopyranoside
    • 8-[1-(I(2)-D-Glucopyranosyloxy)-1-methylethyl]-2H-furo[2,3-h]-1-benzopyran-2-one
    • 161842-80-4
    • 161842-80-4

  • Applications

    2-(2-Oxo-2H-furo[2,3-h][1]benzopyran-8-yl)propan-2-yl beta-D-glucopyranoside (CAS 161842-80-4) is considered primarily as a glycoside-building block for the synthesis of fragrance and flavor precursors, and is also evaluated as an intermediate or functionalized glycoside for cosmetic and personal-care formulations; in pharmaceutical development it may serve as a precursor or scaffold in glycoside-derived lead compounds; in agricultural research it is explored as a potential component of agrochemical glycoside derivatives; and in research settings it can be used as a protected sugar conjugate enabling selective derivatization in synthetic sequences.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.88
    methanol 75.76
    isopropanol 13.35
    water 16.0
    ethyl acetate 3.97
    n-propanol 17.0
    acetone 29.32
    n-butanol 10.58
    acetonitrile 5.66
    DMF 251.18
    toluene 1.8
    isobutanol 6.42
    1,4-dioxane 35.31
    methyl acetate 6.41
    THF 90.4
    2-butanone 12.47
    n-pentanol 6.86
    sec-butanol 8.84
    n-hexane 0.17
    ethylene glycol 77.01
    NMP 107.26
    cyclohexane 0.45
    DMSO 438.92
    n-butyl acetate 1.57
    n-octanol 5.25
    chloroform 1.95
    n-propyl acetate 2.6
    acetic acid 79.23
    dichloromethane 3.04
    cyclohexanone 21.16
    propylene glycol 43.55
    isopropyl acetate 2.81
    DMAc 202.54
    2-ethoxyethanol 70.29
    isopentanol 5.41
    n-heptane 0.45
    ethyl formate 7.13
    1,2-dichloroethane 3.02
    n-hexanol 3.49
    2-methoxyethanol 149.32
    isobutyl acetate 1.33
    tetrachloromethane 0.4
    n-pentyl acetate 4.08
    transcutol 61.42
    n-heptanol 5.93
    ethylbenzene 0.82
    MIBK 3.85
    2-propoxyethanol 32.86
    tert-butanol 6.65
    MTBE 2.39
    2-butoxyethanol 23.87
    propionic acid 18.21
    o-xylene 1.33
    formic acid 191.8
    diethyl ether 4.8
    m-xylene 1.12
    p-xylene 1.03
    chlorobenzene 0.93
    dimethyl carbonate 15.5
    n-octane 0.36
    formamide 196.1
    cyclopentanone 42.25
    2-pentanone 8.57
    anisole 3.59
    cyclopentyl methyl ether 12.66
    gamma-butyrolactone 42.42
    1-methoxy-2-propanol 76.64
    pyridine 17.16
    3-pentanone 6.45
    furfural 34.36
    n-dodecane 0.26
    diethylene glycol 60.49
    diisopropyl ether 0.85
    tert-amyl alcohol 5.6
    acetylacetone 16.11
    n-hexadecane 0.3
    acetophenone 6.19
    methyl propionate 9.74
    isopentyl acetate 1.66
    trichloroethylene 5.34
    n-nonanol 5.34
    cyclohexanol 9.1
    benzyl alcohol 9.58
    2-ethylhexanol 1.79
    isooctanol 3.72
    dipropyl ether 3.8
    1,2-dichlorobenzene 0.98
    ethyl lactate 8.08
    propylene carbonate 10.2
    n-methylformamide 92.69
    2-pentanol 4.57
    n-pentane 0.21
    1-propoxy-2-propanol 15.96
    1-methoxy-2-propyl acetate 6.61
    2-(2-methoxypropoxy) propanol 17.49
    mesitylene 0.66
    ε-caprolactone 16.82
    p-cymene 0.71
    epichlorohydrin 30.52
    1,1,1-trichloroethane 0.65
    2-aminoethanol 60.08
    morpholine-4-carbaldehyde 125.31
    sulfolane 94.75
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 15.78
    n-hexyl acetate 4.76
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 28.07
    sec-butyl acetate 1.47
    tert-butyl acetate 3.14
    decalin 0.16
    glycerin 125.97
    diglyme 49.28
    acrylic acid 32.29
    isopropyl myristate 2.06
    n-butyric acid 12.24
    acetyl acetate 3.57
    di(2-ethylhexyl) phthalate 3.7
    ethyl propionate 2.68
    nitromethane 75.44
    1,2-diethoxyethane 8.52
    benzonitrile 3.36
    trioctyl phosphate 3.06
    1-bromopropane 1.08
    gamma-valerolactone 86.61
    n-decanol 3.73
    triethyl phosphate 2.21
    4-methyl-2-pentanol 1.96
    propionitrile 3.68
    vinylene carbonate 11.06
    1,1,2-trichlorotrifluoroethane 46.95
    DMS 5.14
    cumene 0.53
    2-octanol 3.38
    2-hexanone 4.19
    octyl acetate 3.52
    limonene 1.05
    1,2-dimethoxyethane 53.3
    ethyl orthosilicate 2.14
    tributyl phosphate 2.42
    diacetone alcohol 14.93
    N,N-dimethylaniline 3.85
    acrylonitrile 8.24
    aniline 6.04
    1,3-propanediol 62.74
    bromobenzene 0.65
    dibromomethane 1.42
    1,1,2,2-tetrachloroethane 5.44
    2-methyl-cyclohexyl acetate 2.68
    tetrabutyl urea 6.11
    diisobutyl methanol 1.2
    2-phenylethanol 5.23
    styrene 0.9
    dioctyl adipate 4.4
    dimethyl sulfate 30.6
    ethyl butyrate 2.03
    methyl lactate 27.36
    butyl lactate 7.53
    diethyl carbonate 1.57
    propanediol butyl ether 25.81
    triethyl orthoformate 3.0
    p-tert-butyltoluene 0.69
    methyl 4-tert-butylbenzoate 9.57
    morpholine 56.07
    tert-butylamine 1.69
    n-dodecanol 2.61
    dimethoxymethane 87.38
    ethylene carbonate 8.46
    cyrene 33.01
    2-ethoxyethyl acetate 8.91
    2-ethylhexyl acetate 1.27
    1,2,4-trichlorobenzene 1.68
    4-methylpyridine 8.61
    dibutyl ether 2.85
    2,6-dimethyl-4-heptanol 1.2
    DEF 25.41
    dimethyl isosorbide 22.02
    tetrachloroethylene 4.26
    eugenol 12.72
    triacetin 9.8
    span 80 15.92
    1,4-butanediol 29.28
    1,1-dichloroethane 0.99
    2-methyl-1-pentanol 3.68
    methyl formate 58.74
    2-methyl-1-butanol 5.51
    n-decane 0.52
    butyronitrile 3.18
    3,7-dimethyl-1-octanol 2.53
    1-chlorooctane 1.25
    1-chlorotetradecane 0.53
    n-nonane 0.44
    undecane 0.36
    tert-butylcyclohexane 0.08
    cyclooctane 0.23
    cyclopentanol 15.75
    tetrahydropyran 14.53
    tert-amyl methyl ether 2.92
    2,5,8-trioxanonane 36.29
    1-hexene 0.62
    2-isopropoxyethanol 25.66
    2,2,2-trifluoroethanol 34.36
    methyl butyrate 4.05

    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