4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one

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  • Identifiers

    CAS number
    196503-96-5

    Molecular formula
    C12H8O5

    SMILES
    COC1=CC2=C(O1)C=CC3=C2OC(=O)C=C3O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 41.17%
    Phenolic 40.59%
    Odorless 34.73%
    Burnt 30.13%
    Vanilla 28.9%
    Creamy 26.68%
    Fruity 25.58%
    Nutty 24.67%
    Coconut 24.2%
    Balsamic 23.9%

     

    Flavor
    Bitter 89.4%
    Odorless 20.98%
    Parsley 19.75%
    Sweet-like 19.61%
    Cedarleaf 19.5%
    Lovage 19.03%
    Very strong 18.96%
    Ripe apricot 18.8%
    Indole 18.78%
    Aniseed 18.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.15 (neutral)

    Molecular weight
    232.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    423°C

    Melting point expt.

    • 212 °C

    Flash point

    • 206.73 ˚C est.

  • Synonyms

    • 4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one
    • 196503-96-5
    • 4-Hydroxy-8-methoxy-2H-furo(2,3-h)-1-benzopyran-2-one
    • RefChem:293364
    • CHEBI:174185
    • DTXSID701215540
    • 4-hydroxy-8-methoxyuro[2,3-h]chromen-2-one
    • 4-Hydroxy-8-methoxy-2H-furo[2,3-h][1]benzopyran-2-one
    • 4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one, 9CI
    • 196503-96-5

  • Applications

    4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one (CAS 196503-96-5) is used primarily as a fragrance-related ingredient and chemical intermediate. In perfumery and personal care, it may function as an odorant or fixative component. It is also employed as an intermediate in organic synthesis for the development of pharmaceutical or agrochemical compounds. Additionally, it may be explored as a UV-absorbing additive in coatings, inks, or plastics, and as a precursor in dye or pigment synthesis. As a specialist building block, it can support research and development in advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.81
    methanol 6.15
    isopropanol 5.77
    water 0.14
    ethyl acetate 15.31
    n-propanol 4.5
    acetone 34.21
    n-butanol 4.86
    acetonitrile 11.25
    DMF 133.5
    toluene 1.18
    isobutanol 4.69
    1,4-dioxane 31.87
    methyl acetate 26.46
    THF 81.39
    2-butanone 30.97
    n-pentanol 3.97
    sec-butanol 6.39
    n-hexane 0.08
    ethylene glycol 9.43
    NMP 113.09
    cyclohexane 0.12
    DMSO 236.16
    n-butyl acetate 13.94
    n-octanol 3.96
    chloroform 3.71
    n-propyl acetate 16.2
    acetic acid 13.66
    dichloromethane 6.96
    cyclohexanone 33.4
    propylene glycol 5.75
    isopropyl acetate 12.64
    DMAc 210.46
    2-ethoxyethanol 30.82
    isopentanol 7.33
    n-heptane 0.18
    ethyl formate 10.58
    1,2-dichloroethane 8.32
    n-hexanol 4.23
    2-methoxyethanol 58.0
    isobutyl acetate 9.36
    tetrachloromethane 0.53
    n-pentyl acetate 8.69
    transcutol 53.13
    n-heptanol 3.91
    ethylbenzene 1.72
    MIBK 13.34
    2-propoxyethanol 34.77
    tert-butanol 13.03
    MTBE 7.63
    2-butoxyethanol 17.01
    propionic acid 11.87
    o-xylene 2.01
    formic acid 13.25
    diethyl ether 5.79
    m-xylene 1.59
    p-xylene 2.99
    chlorobenzene 2.3
    dimethyl carbonate 27.86
    n-octane 0.14
    formamide 37.52
    cyclopentanone 52.24
    2-pentanone 20.44
    anisole 12.49
    cyclopentyl methyl ether 16.2
    gamma-butyrolactone 60.95
    1-methoxy-2-propanol 40.89
    pyridine 17.44
    3-pentanone 18.53
    furfural 42.22
    n-dodecane 0.29
    diethylene glycol 45.9
    diisopropyl ether 2.2
    tert-amyl alcohol 11.9
    acetylacetone 32.51
    n-hexadecane 0.34
    acetophenone 18.77
    methyl propionate 26.01
    isopentyl acetate 13.86
    trichloroethylene 13.12
    n-nonanol 4.56
    cyclohexanol 7.97
    benzyl alcohol 11.88
    2-ethylhexanol 5.07
    isooctanol 4.18
    dipropyl ether 6.7
    1,2-dichlorobenzene 3.7
    ethyl lactate 17.35
    propylene carbonate 24.39
    n-methylformamide 36.79
    2-pentanol 4.33
    n-pentane 0.05
    1-propoxy-2-propanol 25.25
    1-methoxy-2-propyl acetate 27.34
    2-(2-methoxypropoxy) propanol 27.83
    mesitylene 1.32
    ε-caprolactone 29.72
    p-cymene 2.86
    epichlorohydrin 55.99
    1,1,1-trichloroethane 3.5
    2-aminoethanol 9.07
    morpholine-4-carbaldehyde 90.16
    sulfolane 103.88
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 25.44
    n-hexyl acetate 10.43
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 27.16
    sec-butyl acetate 10.6
    tert-butyl acetate 15.43
    decalin 0.28
    glycerin 22.91
    diglyme 51.06
    acrylic acid 14.02
    isopropyl myristate 6.65
    n-butyric acid 11.44
    acetyl acetate 10.05
    di(2-ethylhexyl) phthalate 8.78
    ethyl propionate 17.39
    nitromethane 54.79
    1,2-diethoxyethane 17.14
    benzonitrile 9.83
    trioctyl phosphate 6.66
    1-bromopropane 2.63
    gamma-valerolactone 72.75
    n-decanol 4.0
    triethyl phosphate 12.69
    4-methyl-2-pentanol 4.12
    propionitrile 10.12
    vinylene carbonate 20.66
    1,1,2-trichlorotrifluoroethane 40.19
    DMS 21.21
    cumene 1.93
    2-octanol 3.15
    2-hexanone 16.85
    octyl acetate 8.31
    limonene 3.75
    1,2-dimethoxyethane 62.88
    ethyl orthosilicate 10.55
    tributyl phosphate 8.47
    diacetone alcohol 31.82
    N,N-dimethylaniline 11.37
    acrylonitrile 17.8
    aniline 6.88
    1,3-propanediol 15.93
    bromobenzene 1.78
    dibromomethane 2.84
    1,1,2,2-tetrachloroethane 13.11
    2-methyl-cyclohexyl acetate 13.49
    tetrabutyl urea 13.9
    diisobutyl methanol 4.21
    2-phenylethanol 11.09
    styrene 1.86
    dioctyl adipate 11.6
    dimethyl sulfate 63.95
    ethyl butyrate 12.5
    methyl lactate 29.55
    butyl lactate 11.51
    diethyl carbonate 11.4
    propanediol butyl ether 14.64
    triethyl orthoformate 12.69
    p-tert-butyltoluene 2.56
    methyl 4-tert-butylbenzoate 18.21
    morpholine 41.42
    tert-butylamine 4.04
    n-dodecanol 3.41
    dimethoxymethane 65.2
    ethylene carbonate 19.17
    cyrene 32.99
    2-ethoxyethyl acetate 16.33
    2-ethylhexyl acetate 10.81
    1,2,4-trichlorobenzene 6.29
    4-methylpyridine 16.08
    dibutyl ether 5.57
    2,6-dimethyl-4-heptanol 4.21
    DEF 36.59
    dimethyl isosorbide 42.34
    tetrachloroethylene 6.21
    eugenol 20.08
    triacetin 17.77
    span 80 15.44
    1,4-butanediol 7.06
    1,1-dichloroethane 3.78
    2-methyl-1-pentanol 5.62
    methyl formate 30.4
    2-methyl-1-butanol 6.44
    n-decane 0.38
    butyronitrile 7.6
    3,7-dimethyl-1-octanol 5.02
    1-chlorooctane 1.76
    1-chlorotetradecane 1.2
    n-nonane 0.27
    undecane 0.33
    tert-butylcyclohexane 0.24
    cyclooctane 0.07
    cyclopentanol 10.23
    tetrahydropyran 13.18
    tert-amyl methyl ether 9.19
    2,5,8-trioxanonane 44.83
    1-hexene 0.63
    2-isopropoxyethanol 21.48
    2,2,2-trifluoroethanol 13.4
    methyl butyrate 21.52

    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