(2R)-2-[(2R)-1,2-dihydroxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one

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  • Identifiers

    CAS number
    80794-85-0

    Molecular formula
    C14H14O5

    SMILES
    C[C@@](CO)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 47.08%
    Odorless 43.44%
    Vanilla 38.17%
    Creamy 33.51%
    Milky 28.51%
    Caramellic 25.68%
    Powdery 25.46%
    Dairy 21.47%
    Buttery 20.84%
    Fruity 20.75%

     

    Flavor
    Bitter 75.27%
    Odorless 28.43%
    Bland 23.17%
    Sweet-like 21.92%
    Sweet 21.46%
    Mild 20.33%
    Orange flower 19.0%
    Fruity 18.69%
    Ethyl benzoate 18.68%
    Bread crust 18.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.68 (neutral)

    Molecular weight
    262.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    583°C

    Flash point

    • 242.91 ˚C est.

  • Synonyms

    • DTXSID501125446
    • 80794-85-0
    • (2R)-2-[(2R)-1,2-Dihydroxypropan-2-yl]-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
    • (2R)-2-[(1R)-1,2-Dihydroxy-1-methylethyl]-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
    • 80794-85-0

  • Applications

    For (2R)-2-[(2R)-1,2-dihydroxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one (80794-85-0), the compound is primarily used as a synthetic intermediate and building block for chromene/furanone-containing molecules in pharmaceutical research, often evaluated for structure–activity relationship (SAR) exploration and preparation of lead candidates. It may also be considered as a precursor in cosmetic and personal care research, as well as a specialty reagent for dye- or pigment-related chromophoric systems used in coatings, inks, and polymer formulations. In materials science, the fused chromene framework may be explored as part of research into organic electronic materials for potential use in optoelectronic or semiconductor applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.12
    methanol 88.86
    isopropanol 38.9
    water 0.92
    ethyl acetate 30.02
    n-propanol 29.2
    acetone 104.18
    n-butanol 26.09
    acetonitrile 28.54
    DMF 250.74
    toluene 2.17
    isobutanol 18.23
    1,4-dioxane 58.98
    methyl acetate 39.01
    THF 168.75
    2-butanone 54.06
    n-pentanol 16.49
    sec-butanol 21.27
    n-hexane 0.07
    ethylene glycol 57.23
    NMP 59.93
    cyclohexane 0.14
    DMSO 360.07
    n-butyl acetate 18.63
    n-octanol 7.58
    chloroform 8.39
    n-propyl acetate 27.23
    acetic acid 112.49
    dichloromethane 8.8
    cyclohexanone 41.98
    propylene glycol 40.23
    isopropyl acetate 24.12
    DMAc 292.06
    2-ethoxyethanol 153.94
    isopentanol 31.67
    n-heptane 0.22
    ethyl formate 32.08
    1,2-dichloroethane 8.63
    n-hexanol 13.58
    2-methoxyethanol 267.01
    isobutyl acetate 16.84
    tetrachloromethane 1.04
    n-pentyl acetate 13.72
    transcutol 254.77
    n-heptanol 11.02
    ethylbenzene 1.91
    MIBK 30.37
    2-propoxyethanol 97.89
    tert-butanol 52.86
    MTBE 16.96
    2-butoxyethanol 49.56
    propionic acid 33.7
    o-xylene 2.74
    formic acid 151.99
    diethyl ether 9.73
    m-xylene 2.63
    p-xylene 3.2
    chlorobenzene 3.19
    dimethyl carbonate 36.15
    n-octane 0.18
    formamide 261.94
    cyclopentanone 70.24
    2-pentanone 37.11
    anisole 16.35
    cyclopentyl methyl ether 18.31
    gamma-butyrolactone 77.99
    1-methoxy-2-propanol 150.88
    pyridine 24.3
    3-pentanone 17.77
    furfural 75.92
    n-dodecane 0.27
    diethylene glycol 140.96
    diisopropyl ether 3.58
    tert-amyl alcohol 32.36
    acetylacetone 68.8
    n-hexadecane 0.3
    acetophenone 25.2
    methyl propionate 32.36
    isopentyl acetate 23.93
    trichloroethylene 23.07
    n-nonanol 8.66
    cyclohexanol 13.22
    benzyl alcohol 26.43
    2-ethylhexanol 8.0
    isooctanol 10.3
    dipropyl ether 7.32
    1,2-dichlorobenzene 4.46
    ethyl lactate 34.7
    propylene carbonate 39.54
    n-methylformamide 124.31
    2-pentanol 13.66
    n-pentane 0.07
    1-propoxy-2-propanol 53.18
    1-methoxy-2-propyl acetate 46.95
    2-(2-methoxypropoxy) propanol 60.98
    mesitylene 2.03
    ε-caprolactone 39.74
    p-cymene 3.12
    epichlorohydrin 90.69
    1,1,1-trichloroethane 5.42
    2-aminoethanol 66.41
    morpholine-4-carbaldehyde 141.65
    sulfolane 98.55
    2,2,4-trimethylpentane 0.22
    2-methyltetrahydrofuran 33.61
    n-hexyl acetate 16.24
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 78.54
    sec-butyl acetate 17.28
    tert-butyl acetate 31.14
    decalin 0.28
    glycerin 110.25
    diglyme 141.05
    acrylic acid 42.26
    isopropyl myristate 8.54
    n-butyric acid 44.34
    acetyl acetate 23.63
    di(2-ethylhexyl) phthalate 13.6
    ethyl propionate 20.37
    nitromethane 176.14
    1,2-diethoxyethane 34.98
    benzonitrile 16.35
    trioctyl phosphate 9.54
    1-bromopropane 2.24
    gamma-valerolactone 130.92
    n-decanol 6.61
    triethyl phosphate 14.6
    4-methyl-2-pentanol 13.49
    propionitrile 17.5
    vinylene carbonate 37.65
    1,1,2-trichlorotrifluoroethane 94.35
    DMS 25.23
    cumene 2.01
    2-octanol 6.21
    2-hexanone 24.83
    octyl acetate 11.07
    limonene 3.52
    1,2-dimethoxyethane 166.65
    ethyl orthosilicate 13.11
    tributyl phosphate 11.76
    diacetone alcohol 70.81
    N,N-dimethylaniline 12.66
    acrylonitrile 30.89
    aniline 9.95
    1,3-propanediol 99.87
    bromobenzene 2.38
    dibromomethane 3.38
    1,1,2,2-tetrachloroethane 18.16
    2-methyl-cyclohexyl acetate 17.3
    tetrabutyl urea 18.56
    diisobutyl methanol 6.88
    2-phenylethanol 22.36
    styrene 2.18
    dioctyl adipate 16.0
    dimethyl sulfate 63.53
    ethyl butyrate 16.57
    methyl lactate 52.95
    butyl lactate 22.9
    diethyl carbonate 14.99
    propanediol butyl ether 49.61
    triethyl orthoformate 16.3
    p-tert-butyltoluene 3.13
    methyl 4-tert-butylbenzoate 28.86
    morpholine 87.11
    tert-butylamine 10.04
    n-dodecanol 5.0
    dimethoxymethane 145.87
    ethylene carbonate 30.52
    cyrene 58.39
    2-ethoxyethyl acetate 30.7
    2-ethylhexyl acetate 14.29
    1,2,4-trichlorobenzene 7.34
    4-methylpyridine 20.64
    dibutyl ether 7.28
    2,6-dimethyl-4-heptanol 6.88
    DEF 50.83
    dimethyl isosorbide 73.79
    tetrachloroethylene 11.15
    eugenol 36.06
    triacetin 32.78
    span 80 33.27
    1,4-butanediol 41.07
    1,1-dichloroethane 5.06
    2-methyl-1-pentanol 18.07
    methyl formate 94.2
    2-methyl-1-butanol 20.94
    n-decane 0.4
    butyronitrile 17.82
    3,7-dimethyl-1-octanol 10.41
    1-chlorooctane 2.04
    1-chlorotetradecane 1.05
    n-nonane 0.29
    undecane 0.32
    tert-butylcyclohexane 0.26
    cyclooctane 0.09
    cyclopentanol 16.13
    tetrahydropyran 19.93
    tert-amyl methyl ether 14.3
    2,5,8-trioxanonane 104.85
    1-hexene 0.52
    2-isopropoxyethanol 76.01
    2,2,2-trifluoroethanol 48.32
    methyl butyrate 31.18

    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