7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-4-hydroxy-

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  • Identifiers

    CAS number
    74608-59-6

    Molecular formula
    C20H24O10

    SMILES
    CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 70.01%
    Vanilla 30.84%
    Sweet 30.12%
    Milky 25.09%
    Creamy 22.92%
    Savory 18.67%
    Dairy 17.39%
    Phenolic 17.17%
    Bitter 16.28%
    Powdery 15.91%

     

    Flavor
    Bitter 80.59%
    Bland 29.31%
    Odorless 26.64%
    Sweet-like 24.84%
    Cedarleaf 20.79%
    Parsley 19.4%
    Lovage 18.94%
    Naphthalic 18.63%
    Carrot 18.63%
    Eugenol 18.59%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.55 (neutral)

    Molecular weight
    424.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2832°C

    Flash point

    • 273.6 ˚C est.

  • Synonyms

    • 74608-59-6
    • Celerioside
    • 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-4-hydroxy-
    • SCHEMBL29934515
    • DTXSID00996116
    • 2-(4-Hydroxy-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-2-yl)propan-2-yl beta-D-glucopyranoside
    • 2-(4-Hydroxy-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-2-yl)propan-2-yl hexopyranoside
    • 74608-59-6

  • Applications

    7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-4-hydroxy- (CAS 74608-59-6) is commonly evaluated as an intermediate in pharmaceutical synthesis to access glycosylated benzopyranone derivatives; it is also studied for cosmetic/personal care applications where its polyphenolic structure may contribute antioxidant activity and formulation stability; in fragrance development it may serve as a latent odorant or fragrance precursor released upon hydrolysis; in chemical research and industrial synthesis it provides a versatile building block for libraries of flavonoid glycoside compounds; use is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.44
    methanol 37.55
    isopropanol 1.81
    water 2.44
    ethyl acetate 1.47
    n-propanol 3.63
    acetone 6.45
    n-butanol 2.55
    acetonitrile 1.97
    DMF 130.67
    toluene 0.39
    isobutanol 1.32
    1,4-dioxane 13.26
    methyl acetate 2.41
    THF 27.68
    2-butanone 4.13
    n-pentanol 1.39
    sec-butanol 1.56
    n-hexane 0.02
    ethylene glycol 30.8
    NMP 97.15
    cyclohexane 0.08
    DMSO 254.37
    n-butyl acetate 0.75
    n-octanol 2.0
    chloroform 0.65
    n-propyl acetate 0.91
    acetic acid 63.46
    dichloromethane 0.93
    cyclohexanone 10.32
    propylene glycol 22.41
    isopropyl acetate 1.01
    DMAc 106.13
    2-ethoxyethanol 33.82
    isopentanol 1.55
    n-heptane 0.09
    ethyl formate 3.77
    1,2-dichloroethane 0.88
    n-hexanol 1.01
    2-methoxyethanol 88.54
    isobutyl acetate 0.53
    tetrachloromethane 0.15
    n-pentyl acetate 1.99
    transcutol 34.55
    n-heptanol 2.31
    ethylbenzene 0.18
    MIBK 1.6
    2-propoxyethanol 20.28
    tert-butanol 1.41
    MTBE 0.55
    2-butoxyethanol 14.87
    propionic acid 8.66
    o-xylene 0.36
    formic acid 174.39
    diethyl ether 0.96
    m-xylene 0.32
    p-xylene 0.24
    chlorobenzene 0.28
    dimethyl carbonate 7.15
    n-octane 0.06
    formamide 139.47
    cyclopentanone 19.73
    2-pentanone 2.79
    anisole 1.07
    cyclopentyl methyl ether 3.38
    gamma-butyrolactone 25.47
    1-methoxy-2-propanol 36.7
    pyridine 6.06
    3-pentanone 2.02
    furfural 25.85
    n-dodecane 0.06
    diethylene glycol 43.09
    diisopropyl ether 0.22
    tert-amyl alcohol 1.35
    acetylacetone 8.3
    n-hexadecane 0.07
    acetophenone 2.3
    methyl propionate 3.75
    isopentyl acetate 0.97
    trichloroethylene 2.17
    n-nonanol 2.06
    cyclohexanol 2.11
    benzyl alcohol 2.9
    2-ethylhexanol 0.69
    isooctanol 1.47
    dipropyl ether 1.07
    1,2-dichlorobenzene 0.37
    ethyl lactate 4.52
    propylene carbonate 6.65
    n-methylformamide 50.91
    2-pentanol 0.89
    n-pentane 0.04
    1-propoxy-2-propanol 8.92
    1-methoxy-2-propyl acetate 4.27
    2-(2-methoxypropoxy) propanol 12.2
    mesitylene 0.22
    ε-caprolactone 9.83
    p-cymene 0.26
    epichlorohydrin 15.69
    1,1,1-trichloroethane 0.26
    2-aminoethanol 27.61
    morpholine-4-carbaldehyde 88.98
    sulfolane 83.69
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 4.48
    n-hexyl acetate 2.51
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 17.03
    sec-butyl acetate 0.52
    tert-butyl acetate 1.51
    decalin 0.03
    glycerin 83.65
    diglyme 31.55
    acrylic acid 19.02
    isopropyl myristate 0.89
    n-butyric acid 6.72
    acetyl acetate 1.88
    di(2-ethylhexyl) phthalate 2.28
    ethyl propionate 1.02
    nitromethane 64.15
    1,2-diethoxyethane 3.2
    benzonitrile 1.48
    trioctyl phosphate 1.74
    1-bromopropane 0.24
    gamma-valerolactone 66.55
    n-decanol 1.3
    triethyl phosphate 1.3
    4-methyl-2-pentanol 0.6
    propionitrile 1.16
    vinylene carbonate 7.71
    1,1,2-trichlorotrifluoroethane 42.71
    DMS 2.77
    cumene 0.14
    2-octanol 1.2
    2-hexanone 1.34
    octyl acetate 1.66
    limonene 0.41
    1,2-dimethoxyethane 24.37
    ethyl orthosilicate 1.18
    tributyl phosphate 1.38
    diacetone alcohol 8.06
    N,N-dimethylaniline 1.1
    acrylonitrile 3.12
    aniline 1.53
    1,3-propanediol 28.05
    bromobenzene 0.18
    dibromomethane 0.37
    1,1,2,2-tetrachloroethane 1.84
    2-methyl-cyclohexyl acetate 1.49
    tetrabutyl urea 3.28
    diisobutyl methanol 0.48
    2-phenylethanol 2.31
    styrene 0.21
    dioctyl adipate 2.32
    dimethyl sulfate 20.12
    ethyl butyrate 0.91
    methyl lactate 17.96
    butyl lactate 5.13
    diethyl carbonate 0.74
    propanediol butyl ether 16.94
    triethyl orthoformate 1.58
    p-tert-butyltoluene 0.24
    methyl 4-tert-butylbenzoate 5.68
    morpholine 22.91
    tert-butylamine 0.3
    n-dodecanol 0.82
    dimethoxymethane 35.59
    ethylene carbonate 5.01
    cyrene 24.16
    2-ethoxyethyl acetate 4.87
    2-ethylhexyl acetate 0.7
    1,2,4-trichlorobenzene 0.71
    4-methylpyridine 2.98
    dibutyl ether 0.95
    2,6-dimethyl-4-heptanol 0.48
    DEF 10.58
    dimethyl isosorbide 16.62
    tetrachloroethylene 1.54
    eugenol 7.98
    triacetin 6.47
    span 80 10.11
    1,4-butanediol 9.59
    1,1-dichloroethane 0.26
    2-methyl-1-pentanol 1.0
    methyl formate 34.29
    2-methyl-1-butanol 1.45
    n-decane 0.12
    butyronitrile 1.03
    3,7-dimethyl-1-octanol 1.14
    1-chlorooctane 0.38
    1-chlorotetradecane 0.14
    n-nonane 0.1
    undecane 0.08
    tert-butylcyclohexane 0.02
    cyclooctane 0.05
    cyclopentanol 3.62
    tetrahydropyran 3.79
    tert-amyl methyl ether 0.82
    2,5,8-trioxanonane 22.95
    1-hexene 0.08
    2-isopropoxyethanol 10.92
    2,2,2-trifluoroethanol 22.09
    methyl butyrate 1.75

    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