4,7-Dihydroxycoumarin

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  • Identifiers

    CAS number
    1983-81-9

    Molecular formula
    C9H6O4

    SMILES
    C1=CC2=C(C=C1O)OC(=O)C=C2O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 54.33%
    Odorless 53.23%
    Burnt 33.67%
    Nutty 30.02%
    Medicinal 23.21%
    Creamy 21.6%
    Bitter 20.78%
    Balsamic 20.5%
    Sweet 19.79%
    Vanilla 19.67%

     

    Flavor
    Bitter 77.3%
    Mild 26.27%
    Nutty 26.0%
    Phenolic 24.74%
    Odorless 24.59%
    Very strong 21.15%
    Urine 21.12%
    Indole 21.07%
    Almond shell 21.06%
    Curry 20.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.32 (neutral)

    Molecular weight
    178.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    391°C

    Melting point expt.

    • 282 °C

    Flash point

    • 192.7 ˚C est.

  • Synonyms

    • 4,7-Dihydroxycoumarin
    • 4,7-Dihydroxy-2H-chromen-2-one
    • 2H-1-BENZOPYRAN-2-ONE, 4,7-DIHYDROXY-
    • 4,7-Dihydroxy-2H-1-benzopyran-2-one
    • 4,7-Dihydroxy-coumarin
    • Coumarin, 4,7-dihydroxy-
    • DTXSID70173558
    • NSC 136214
    • RefChem:96730
    • DTXCID2096049
    • 688-530-4
    • CYSRKZFPSNZSCS-UHFFFAOYSA-N
    • 1983-81-9
    • 4,7-dihydroxychromen-2-one
    • MFCD00203882
    • NSC136214
    • CHEMBL32810
    • NSC-136214
    • 4,7-Dihydroxychromen-4-one;NSC 136214
    • W5NCA34GEB
    • Oprea1_416006
    • MLS001049063
    • SCHEMBL958685
    • 4,7-Dihydroxy-chromen-2-one
    • 4,7-Dihydroxycoumarin, 97%
    • orb1303107
    • SCHEMBL7796860
    • SCHEMBL29419327
    • 4,7-Bis(oxidanyl)chromen-2-one
    • CHEBI:173820
    • HMS2269H19
    • BDBM50055698
    • MSK164104
    • STL570259
    • 4,7-Dihydroxy-2H-chromen-2-one #
    • AKOS004910078
    • EBC-617445
    • 4,7-Dihydroxy-2-oxo-2H-1-benzopyran
    • NCGC00246203-01
    • BS-43941
    • PD211492
    • SMR000386901
    • SY028381
    • CS-0119443
    • D5175
    • T70518
    • F607486
    • 1983-81-9

  • Applications

    4,7-Dihydroxycoumarin, CAS 1983-81-9, is primarily used as a precursor for coumarin derivatives and related compounds in pharmaceutical and specialty chemical production; it may also serve as a starting material for fragrance ingredients and coumarin-related odorants in perfumery and cosmetics. The molecule's dual phenolic functionality enables exploration as a scaffold for dyes and fluorescent probes in analytical chemistry and materials research, where it can underpin fluorogenic or colorimetric applications. It can function as a starting material for functional additives in coatings, inks, and polymer formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.13
    methanol 22.08
    isopropanol 8.33
    water 0.48
    ethyl acetate 9.82
    n-propanol 9.2
    acetone 31.37
    n-butanol 7.45
    acetonitrile 15.19
    DMF 157.34
    toluene 0.31
    isobutanol 6.72
    1,4-dioxane 50.56
    methyl acetate 16.78
    THF 70.76
    2-butanone 16.1
    n-pentanol 7.2
    sec-butanol 5.92
    n-hexane 0.05
    ethylene glycol 18.84
    NMP 125.78
    cyclohexane 0.03
    DMSO 235.64
    n-butyl acetate 9.94
    n-octanol 10.98
    chloroform 0.07
    n-propyl acetate 10.2
    acetic acid 27.98
    dichloromethane 0.5
    cyclohexanone 15.34
    propylene glycol 16.93
    isopropyl acetate 6.93
    DMAc 102.13
    2-ethoxyethanol 48.18
    isopentanol 7.91
    n-heptane 0.27
    ethyl formate 14.92
    1,2-dichloroethane 1.14
    n-hexanol 5.79
    2-methoxyethanol 89.97
    isobutyl acetate 5.04
    tetrachloromethane 0.03
    n-pentyl acetate 11.98
    transcutol 214.64
    n-heptanol 7.13
    ethylbenzene 0.4
    MIBK 7.89
    2-propoxyethanol 47.68
    tert-butanol 11.73
    MTBE 4.86
    2-butoxyethanol 33.21
    propionic acid 15.49
    o-xylene 0.58
    formic acid 27.78
    diethyl ether 4.12
    m-xylene 0.55
    p-xylene 0.61
    chlorobenzene 0.49
    dimethyl carbonate 17.24
    n-octane 0.14
    formamide 57.47
    cyclopentanone 38.89
    2-pentanone 11.14
    anisole 4.96
    cyclopentyl methyl ether 9.41
    gamma-butyrolactone 71.53
    1-methoxy-2-propanol 57.06
    pyridine 6.71
    3-pentanone 6.38
    furfural 51.96
    n-dodecane 0.3
    diethylene glycol 66.61
    diisopropyl ether 1.28
    tert-amyl alcohol 7.67
    acetylacetone 27.8
    n-hexadecane 0.34
    acetophenone 8.07
    methyl propionate 15.03
    isopentyl acetate 9.05
    trichloroethylene 1.12
    n-nonanol 10.92
    cyclohexanol 4.22
    benzyl alcohol 6.76
    2-ethylhexanol 4.51
    isooctanol 6.26
    dipropyl ether 6.83
    1,2-dichlorobenzene 0.77
    ethyl lactate 14.89
    propylene carbonate 26.72
    n-methylformamide 65.53
    2-pentanol 4.02
    n-pentane 0.06
    1-propoxy-2-propanol 30.99
    1-methoxy-2-propyl acetate 24.71
    2-(2-methoxypropoxy) propanol 49.62
    mesitylene 0.5
    ε-caprolactone 22.11
    p-cymene 1.36
    epichlorohydrin 49.21
    1,1,1-trichloroethane 0.35
    2-aminoethanol 22.6
    morpholine-4-carbaldehyde 129.83
    sulfolane 106.48
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 19.91
    n-hexyl acetate 20.76
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 79.34
    sec-butyl acetate 5.21
    tert-butyl acetate 9.42
    decalin 0.11
    glycerin 43.93
    diglyme 121.1
    acrylic acid 19.54
    isopropyl myristate 8.6
    n-butyric acid 12.73
    acetyl acetate 8.31
    di(2-ethylhexyl) phthalate 10.76
    ethyl propionate 9.06
    nitromethane 96.52
    1,2-diethoxyethane 29.12
    benzonitrile 5.72
    trioctyl phosphate 9.19
    1-bromopropane 0.39
    gamma-valerolactone 93.68
    n-decanol 8.53
    triethyl phosphate 7.38
    4-methyl-2-pentanol 3.17
    propionitrile 7.57
    vinylene carbonate 18.93
    1,1,2-trichlorotrifluoroethane 30.64
    DMS 17.38
    cumene 0.59
    2-octanol 5.03
    2-hexanone 10.1
    octyl acetate 12.75
    limonene 1.93
    1,2-dimethoxyethane 70.95
    ethyl orthosilicate 6.3
    tributyl phosphate 10.16
    diacetone alcohol 24.96
    N,N-dimethylaniline 4.93
    acrylonitrile 14.91
    aniline 2.19
    1,3-propanediol 29.64
    bromobenzene 0.24
    dibromomethane 0.16
    1,1,2,2-tetrachloroethane 0.99
    2-methyl-cyclohexyl acetate 9.04
    tetrabutyl urea 18.44
    diisobutyl methanol 3.92
    2-phenylethanol 6.97
    styrene 0.41
    dioctyl adipate 16.99
    dimethyl sulfate 35.8
    ethyl butyrate 9.66
    methyl lactate 27.77
    butyl lactate 19.41
    diethyl carbonate 7.53
    propanediol butyl ether 44.09
    triethyl orthoformate 9.82
    p-tert-butyltoluene 1.3
    methyl 4-tert-butylbenzoate 21.83
    morpholine 51.74
    tert-butylamine 3.35
    n-dodecanol 6.36
    dimethoxymethane 70.04
    ethylene carbonate 15.43
    cyrene 49.07
    2-ethoxyethyl acetate 29.05
    2-ethylhexyl acetate 6.13
    1,2,4-trichlorobenzene 1.39
    4-methylpyridine 6.21
    dibutyl ether 8.72
    2,6-dimethyl-4-heptanol 3.92
    DEF 23.29
    dimethyl isosorbide 75.77
    tetrachloroethylene 0.42
    eugenol 26.51
    triacetin 30.37
    span 80 31.26
    1,4-butanediol 13.68
    1,1-dichloroethane 0.36
    2-methyl-1-pentanol 6.07
    methyl formate 58.14
    2-methyl-1-butanol 6.34
    n-decane 0.41
    butyronitrile 6.01
    3,7-dimethyl-1-octanol 8.76
    1-chlorooctane 2.06
    1-chlorotetradecane 1.13
    n-nonane 0.3
    undecane 0.35
    tert-butylcyclohexane 0.13
    cyclooctane 0.03
    cyclopentanol 9.1
    tetrahydropyran 8.08
    tert-amyl methyl ether 4.61
    2,5,8-trioxanonane 96.42
    1-hexene 0.32
    2-isopropoxyethanol 26.93
    2,2,2-trifluoroethanol 13.53
    methyl butyrate 11.97

    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