7H-Furo[3,2-g][1]benzopyran-7-one, 9-(I(2)-D-glucopyranosyloxy)-2,3-dihydro-2-(1-methylethenyl)-, (R)-

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  • Identifiers

    CAS number
    115356-05-3

    Molecular formula
    C20H22O9

    SMILES
    CC(=C)[C@H]1CC2=C(O1)C(=C3C(=C2)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 61.61%
    Vanilla 28.68%
    Sweet 27.43%
    Milky 23.23%
    Caramellic 20.88%
    Spicy 20.33%
    Savory 19.75%
    Creamy 18.89%
    Burnt 17.34%
    Dairy 16.75%

     

    Flavor
    Bitter 86.52%
    Bland 27.04%
    Odorless 23.3%
    Sweet-like 22.79%
    Cedarleaf 20.31%
    Parsley 19.44%
    Lovage 19.32%
    Leaves 18.24%
    Eugenol 18.2%
    Ripe apricot 18.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.46 (neutral)

    Molecular weight
    406.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2236°C

    Flash point

    • 273.37 ˚C est.

  • Synonyms

    • DTXSID101114657
    • (2R)-7-Oxo-2-(prop-1-en-2-yl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-9-yl beta-D-glucopyranoside
    • 115356-05-3
    • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(I(2)-D-glucopyranosyloxy)-2,3-dihydro-2-(1-methylethenyl)-, (R)-
    • 115356-05-3

  • Applications

    7H-Furo[3,2-g][1]benzopyran-7-one, 9-(I(2)-D-glucopyranosyloxy)-2,3-dihydro-2-(1-methylethenyl)-, (R)- (CAS 115356-05-3) is a complex furobenzopyranone glycoside with a glucopyranosyloxy group; in practice, applications focus on its role as an intermediate for pharmaceutical and organic synthesis, as a glycoside-derivative scaffold for exploring and optimizing biological activity, and as a scaffold for cosmetic/personal care formulation development; it is also evaluated as an intermediate in synthetic sequences and materials development in industry, while agricultural research and the development of glycoside-derived compounds for agrochemical discovery are possible avenues; its use is subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.81
    methanol 45.09
    isopropanol 13.74
    water 0.93
    ethyl acetate 16.91
    n-propanol 16.42
    acetone 49.23
    n-butanol 11.73
    acetonitrile 16.76
    DMF 147.73
    toluene 1.27
    isobutanol 7.7
    1,4-dioxane 24.85
    methyl acetate 23.08
    THF 75.29
    2-butanone 28.38
    n-pentanol 6.13
    sec-butanol 10.53
    n-hexane 0.06
    ethylene glycol 43.49
    NMP 95.56
    cyclohexane 0.19
    DMSO 217.9
    n-butyl acetate 6.06
    n-octanol 5.62
    chloroform 5.19
    n-propyl acetate 6.95
    acetic acid 263.04
    dichloromethane 5.98
    cyclohexanone 29.73
    propylene glycol 36.08
    isopropyl acetate 9.19
    DMAc 186.76
    2-ethoxyethanol 66.64
    isopentanol 8.31
    n-heptane 0.19
    ethyl formate 19.98
    1,2-dichloroethane 5.15
    n-hexanol 4.71
    2-methoxyethanol 162.49
    isobutyl acetate 3.23
    tetrachloromethane 0.6
    n-pentyl acetate 9.18
    transcutol 148.36
    n-heptanol 6.44
    ethylbenzene 0.54
    MIBK 8.41
    2-propoxyethanol 43.64
    tert-butanol 10.9
    MTBE 4.08
    2-butoxyethanol 31.53
    propionic acid 41.62
    o-xylene 0.99
    formic acid 249.69
    diethyl ether 5.33
    m-xylene 0.96
    p-xylene 0.76
    chlorobenzene 1.47
    dimethyl carbonate 27.61
    n-octane 0.16
    formamide 251.25
    cyclopentanone 57.81
    2-pentanone 18.08
    anisole 3.41
    cyclopentyl methyl ether 10.49
    gamma-butyrolactone 79.97
    1-methoxy-2-propanol 85.96
    pyridine 19.05
    3-pentanone 10.82
    furfural 56.04
    n-dodecane 0.17
    diethylene glycol 76.74
    diisopropyl ether 1.22
    tert-amyl alcohol 9.23
    acetylacetone 39.55
    n-hexadecane 0.19
    acetophenone 7.81
    methyl propionate 22.64
    isopentyl acetate 6.26
    trichloroethylene 13.94
    n-nonanol 5.68
    cyclohexanol 7.35
    benzyl alcohol 9.2
    2-ethylhexanol 2.55
    isooctanol 4.78
    dipropyl ether 3.16
    1,2-dichlorobenzene 1.58
    ethyl lactate 15.27
    propylene carbonate 25.25
    n-methylformamide 94.87
    2-pentanol 6.23
    n-pentane 0.12
    1-propoxy-2-propanol 24.34
    1-methoxy-2-propyl acetate 19.7
    2-(2-methoxypropoxy) propanol 31.23
    mesitylene 0.61
    ε-caprolactone 32.72
    p-cymene 0.89
    epichlorohydrin 55.18
    1,1,1-trichloroethane 2.39
    2-aminoethanol 44.62
    morpholine-4-carbaldehyde 110.43
    sulfolane 114.49
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 17.87
    n-hexyl acetate 10.36
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 49.42
    sec-butyl acetate 4.28
    tert-butyl acetate 9.32
    decalin 0.08
    glycerin 112.91
    diglyme 79.63
    acrylic acid 65.1
    isopropyl myristate 3.67
    n-butyric acid 39.47
    acetyl acetate 15.68
    di(2-ethylhexyl) phthalate 6.19
    ethyl propionate 6.61
    nitromethane 247.32
    1,2-diethoxyethane 14.08
    benzonitrile 6.16
    trioctyl phosphate 4.86
    1-bromopropane 1.44
    gamma-valerolactone 123.05
    n-decanol 4.02
    triethyl phosphate 4.71
    4-methyl-2-pentanol 3.47
    propionitrile 9.69
    vinylene carbonate 24.56
    1,1,2-trichlorotrifluoroethane 85.95
    DMS 13.38
    cumene 0.45
    2-octanol 3.74
    2-hexanone 6.71
    octyl acetate 6.26
    limonene 1.33
    1,2-dimethoxyethane 47.35
    ethyl orthosilicate 4.11
    tributyl phosphate 5.35
    diacetone alcohol 33.36
    N,N-dimethylaniline 2.98
    acrylonitrile 21.17
    aniline 5.95
    1,3-propanediol 59.27
    bromobenzene 0.96
    dibromomethane 2.24
    1,1,2,2-tetrachloroethane 10.38
    2-methyl-cyclohexyl acetate 5.43
    tetrabutyl urea 9.68
    diisobutyl methanol 1.89
    2-phenylethanol 7.92
    styrene 0.68
    dioctyl adipate 7.77
    dimethyl sulfate 48.43
    ethyl butyrate 5.61
    methyl lactate 48.24
    butyl lactate 15.46
    diethyl carbonate 4.47
    propanediol butyl ether 36.16
    triethyl orthoformate 5.82
    p-tert-butyltoluene 0.89
    methyl 4-tert-butylbenzoate 15.35
    morpholine 45.98
    tert-butylamine 2.4
    n-dodecanol 2.83
    dimethoxymethane 72.51
    ethylene carbonate 19.77
    cyrene 37.0
    2-ethoxyethyl acetate 20.65
    2-ethylhexyl acetate 3.96
    1,2,4-trichlorobenzene 3.15
    4-methylpyridine 11.04
    dibutyl ether 3.3
    2,6-dimethyl-4-heptanol 1.89
    DEF 31.99
    dimethyl isosorbide 36.13
    tetrachloroethylene 6.49
    eugenol 18.21
    triacetin 21.14
    span 80 23.86
    1,4-butanediol 19.23
    1,1-dichloroethane 3.04
    2-methyl-1-pentanol 5.17
    methyl formate 72.61
    2-methyl-1-butanol 7.59
    n-decane 0.3
    butyronitrile 7.1
    3,7-dimethyl-1-octanol 4.14
    1-chlorooctane 1.28
    1-chlorotetradecane 0.56
    n-nonane 0.25
    undecane 0.22
    tert-butylcyclohexane 0.06
    cyclooctane 0.11
    cyclopentanol 13.15
    tetrahydropyran 11.86
    tert-amyl methyl ether 4.28
    2,5,8-trioxanonane 55.72
    1-hexene 0.3
    2-isopropoxyethanol 26.63
    2,2,2-trifluoroethanol 73.74
    methyl butyrate 9.52

    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