5-Hydroxy-4-(7-hydroxy-2H-1-benzopyran-3-yl)-5-methylfuran-2(5H)-one

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  • Identifiers

    CAS number
    147838-41-3

    Molecular formula
    C14H12O5

    SMILES
    CC1(C(=CC(=O)O1)C2=CC3=C(C=C(C=C3)O)OC2)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 42.13%
    Odorless 37.76%
    Spicy 36.04%
    Phenolic 31.13%
    Coconut 27.14%
    Coumarinic 26.8%
    Vanilla 26.02%
    Balsamic 25.95%
    Nutty 25.21%
    Creamy 24.61%

     

    Flavor
    Bitter 82.11%
    Odorless 21.26%
    Lovage 20.4%
    Sweet-like 20.07%
    Ripe apricot 19.93%
    Parsley 19.68%
    Red fruit 19.68%
    Cedarleaf 19.65%
    Bland 19.51%
    Cotton candy 19.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.55 (weak base)

    Molecular weight
    260.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    565°C

    Flash point

    • 224.27 ˚C est.

  • Synonyms

    • DTXSID601154882
    • 2(5H)-Furanone, 5-hydroxy-4-(7-hydroxy-2H-1-benzopyran-3-yl)-5-methyl-
    • 5-Hydroxy-4-(7-hydroxy-2H-1-benzopyran-3-yl)-5-methylfuran-2(5H)-one
    • 147838-41-3
    • 147838-41-3

  • Applications

    5-Hydroxy-4-(7-hydroxy-2H-1-benzopyran-3-yl)-5-methylfuran-2(5H)-one (CAS 147838-41-3) is typically used as a chemical intermediate and heterocyclic building block in organic synthesis, supporting the development of pharmaceutical candidates and related derivatives. In fragrance and flavor-related applications, it may be evaluated as an odorant or fragrance precursor; in cosmetics and personal care, it can serve as a reactive scaffold for formulation chemistry. It can also find utility in industrial manufacturing, particularly in coatings, inks, or polymer/resin systems where specialized lactone/phenyl-fused frameworks are desirable. Finally, it is commonly explored in research and development as a stepping-stone for the synthesis of new heterocyclic compounds. All usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.72
    methanol 8.5
    isopropanol 4.56
    water 0.03
    ethyl acetate 17.82
    n-propanol 3.49
    acetone 49.46
    n-butanol 3.46
    acetonitrile 22.88
    DMF 179.86
    toluene 0.61
    isobutanol 2.96
    1,4-dioxane 57.58
    methyl acetate 25.92
    THF 134.39
    2-butanone 33.09
    n-pentanol 2.31
    sec-butanol 3.71
    n-hexane 0.02
    ethylene glycol 5.0
    NMP 68.39
    cyclohexane 0.03
    DMSO 414.45
    n-butyl acetate 10.06
    n-octanol 2.5
    chloroform 7.86
    n-propyl acetate 10.96
    acetic acid 16.69
    dichloromethane 5.9
    cyclohexanone 29.25
    propylene glycol 6.23
    isopropyl acetate 10.92
    DMAc 206.25
    2-ethoxyethanol 39.66
    isopentanol 4.93
    n-heptane 0.04
    ethyl formate 14.38
    1,2-dichloroethane 5.63
    n-hexanol 1.88
    2-methoxyethanol 86.85
    isobutyl acetate 6.56
    tetrachloromethane 0.36
    n-pentyl acetate 4.6
    transcutol 104.09
    n-heptanol 2.0
    ethylbenzene 0.6
    MIBK 13.13
    2-propoxyethanol 47.37
    tert-butanol 12.18
    MTBE 5.29
    2-butoxyethanol 16.96
    propionic acid 7.62
    o-xylene 0.85
    formic acid 16.66
    diethyl ether 4.18
    m-xylene 0.81
    p-xylene 0.98
    chlorobenzene 1.66
    dimethyl carbonate 28.8
    n-octane 0.03
    formamide 49.7
    cyclopentanone 65.07
    2-pentanone 20.12
    anisole 11.03
    cyclopentyl methyl ether 10.99
    gamma-butyrolactone 71.84
    1-methoxy-2-propanol 62.89
    pyridine 14.53
    3-pentanone 13.21
    furfural 58.86
    n-dodecane 0.08
    diethylene glycol 55.53
    diisopropyl ether 1.16
    tert-amyl alcohol 6.25
    acetylacetone 52.98
    n-hexadecane 0.1
    acetophenone 13.13
    methyl propionate 23.28
    isopentyl acetate 10.91
    trichloroethylene 16.94
    n-nonanol 2.95
    cyclohexanol 3.62
    benzyl alcohol 8.11
    2-ethylhexanol 2.01
    isooctanol 2.34
    dipropyl ether 4.66
    1,2-dichlorobenzene 2.61
    ethyl lactate 13.8
    propylene carbonate 20.07
    n-methylformamide 56.23
    2-pentanol 2.39
    n-pentane 0.01
    1-propoxy-2-propanol 29.29
    1-methoxy-2-propyl acetate 29.97
    2-(2-methoxypropoxy) propanol 34.82
    mesitylene 0.64
    ε-caprolactone 22.99
    p-cymene 1.05
    epichlorohydrin 79.63
    1,1,1-trichloroethane 3.24
    2-aminoethanol 7.94
    morpholine-4-carbaldehyde 106.79
    sulfolane 96.0
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 20.37
    n-hexyl acetate 7.96
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 38.45
    sec-butyl acetate 6.9
    tert-butyl acetate 14.59
    decalin 0.08
    glycerin 26.3
    diglyme 94.59
    acrylic acid 10.29
    isopropyl myristate 4.79
    n-butyric acid 11.23
    acetyl acetate 14.72
    di(2-ethylhexyl) phthalate 6.33
    ethyl propionate 14.74
    nitromethane 139.6
    1,2-diethoxyethane 20.7
    benzonitrile 8.41
    trioctyl phosphate 4.1
    1-bromopropane 1.17
    gamma-valerolactone 111.7
    n-decanol 2.29
    triethyl phosphate 9.02
    4-methyl-2-pentanol 2.64
    propionitrile 14.19
    vinylene carbonate 22.11
    1,1,2-trichlorotrifluoroethane 53.63
    DMS 16.08
    cumene 0.58
    2-octanol 1.4
    2-hexanone 12.23
    octyl acetate 5.76
    limonene 1.21
    1,2-dimethoxyethane 118.16
    ethyl orthosilicate 7.53
    tributyl phosphate 5.86
    diacetone alcohol 34.33
    N,N-dimethylaniline 6.25
    acrylonitrile 26.16
    aniline 3.71
    1,3-propanediol 16.67
    bromobenzene 1.32
    dibromomethane 2.09
    1,1,2,2-tetrachloroethane 15.26
    2-methyl-cyclohexyl acetate 9.43
    tetrabutyl urea 10.36
    diisobutyl methanol 2.4
    2-phenylethanol 7.91
    styrene 0.74
    dioctyl adipate 9.84
    dimethyl sulfate 55.77
    ethyl butyrate 10.7
    methyl lactate 29.06
    butyl lactate 8.9
    diethyl carbonate 9.05
    propanediol butyl ether 15.88
    triethyl orthoformate 11.49
    p-tert-butyltoluene 1.11
    methyl 4-tert-butylbenzoate 14.72
    morpholine 59.19
    tert-butylamine 2.29
    n-dodecanol 1.76
    dimethoxymethane 105.95
    ethylene carbonate 17.81
    cyrene 29.91
    2-ethoxyethyl acetate 13.35
    2-ethylhexyl acetate 7.14
    1,2,4-trichlorobenzene 4.73
    4-methylpyridine 11.91
    dibutyl ether 4.03
    2,6-dimethyl-4-heptanol 2.4
    DEF 31.29
    dimethyl isosorbide 60.35
    tetrachloroethylene 5.13
    eugenol 17.84
    triacetin 18.04
    span 80 14.75
    1,4-butanediol 4.95
    1,1-dichloroethane 3.13
    2-methyl-1-pentanol 2.99
    methyl formate 45.82
    2-methyl-1-butanol 3.37
    n-decane 0.11
    butyronitrile 8.56
    3,7-dimethyl-1-octanol 3.59
    1-chlorooctane 0.79
    1-chlorotetradecane 0.45
    n-nonane 0.07
    undecane 0.1
    tert-butylcyclohexane 0.07
    cyclooctane 0.02
    cyclopentanol 5.78
    tetrahydropyran 12.06
    tert-amyl methyl ether 4.79
    2,5,8-trioxanonane 75.15
    1-hexene 0.13
    2-isopropoxyethanol 21.52
    2,2,2-trifluoroethanol 9.06
    methyl butyrate 17.97

    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