5,7-Dihydroxy-4-methylcoumarin

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  • Identifiers

    CAS number
    2107-76-8

    Molecular formula
    C10H8O4

    SMILES
    CC1=CC(=O)OC2=CC(=CC(=C12)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 50.26%
    Phenolic 49.39%
    Burnt 32.55%
    Nutty 24.88%
    Animal 21.22%
    Medicinal 20.17%
    Creamy 20.1%
    Smoky 20.06%
    Dry 20.05%
    Musty 19.6%

     

    Flavor
    Bitter 73.7%
    Phenolic 24.62%
    Odorless 24.34%
    Mild 24.2%
    Nutty 23.26%
    Musty 22.28%
    Flat 21.47%
    Eugenol 21.35%
    Indole 21.33%
    Cedarleaf 21.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.68 (neutral)

    Molecular weight
    192.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    425°C

    Melting point expt.

    • 518 to 545 °F (NTP, 1992)
    • 282-284 °C

    Flash point

    • 199.13 ˚C est.

    Solubility expt.

    • Slightly soluble (NTP, 1992)
    • SLIGHTLY SOL IN WATER, ETHER, BENZENE, CHLOROFORM; VERY SOL IN HOT ALCOHOL, ALKALI
    • SOL IN SODIUM HYDROXIDE

  • Synonyms

    • 5,7-DIHYDROXY-4-METHYLCOUMARIN
    • 2107-76-8
    • 4-Methyllimetol
    • 4-Methyl-5,7-dihydroxycoumarin
    • 5,7-dihydroxy-4-methylchromen-2-one
    • 2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-methyl-
    • 5,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one
    • Coumarin, 5,7-dihydroxy-4-methyl-
    • 5,7-Dihydroxy-4-methyl-2-benzopyrone
    • DTXSID0025078
    • VP62D4346M
    • NSC-5302
    • DTXCID805078
    • RefChem:101365
    • 5,7-DHMC
    • 5,7-dihydroxy-4-methyl coumarin
    • 218-289-9
    • 5,7-Dihydroxy-4-methyl-2H-chromen-2-one
    • MFCD00016966
    • 5,7-Dihydroxy-4-methyl-chromen-2-one
    • 5,7-Dihydroxy 4-methylcoumarin
    • 5,7-Dihydroxy-4-methyl-2-chromenone
    • CHEMBL12252
    • 4-methyl-5,7-dihydroxy-coumarin
    • NSC5302
    • 5,7-Dihydroxy-4-methyl-2H-chromen-2-one Monohydrate
    • 189251-57-8
    • CCRIS 5908
    • HSDB 4277
    • 2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-methyl-; Coumarin, 5,7-dihydroxy-4-methyl- (7CI,8CI); 4-Methyl-5,7-dihydroxycoumarin; 5,7-Dihydroxy-4-methyl-chromen-2-one; 5,7-Dihydroxy-4-methylcoumarin; NSC 5302
    • NSC 5302
    • EINECS 218-289-9
    • SpecPlus_000809
    • Coumarin derivative, 1b
    • AI3-23192
    • Maybridge1_004060
    • Spectrum2_001356
    • methyl-2H-chromen-2-one
    • Oprea1_360904
    • MLS002207303
    • DivK1c_006905
    • SCHEMBL403833
    • UNII-VP62D4346M
    • SPBio_001571
    • orb1297686
    • SCHEMBL29431030
    • HY-N4102R
    • KBio1_001849
    • CHEBI:176669
    • HMS5086B03
    • ALBB-015749
    • BB_NC-01842
    • HY-N4102
    • Tox21_200882
    • BBL027825
    • BDBM50022180
    • CCG-39294
    • EBC-46079
    • s9380
    • STL372635
    • AKOS005175144
    • 5,7-Dihydroxy-4-methylcoumarin, 98%
    • 5-7-DIHYDROXY-4-METHYLCOUMARIN
    • NCGC00091651-01
    • NCGC00091651-02
    • NCGC00258436-01
    • AS-37776
    • SMR001306810
    • SY048577
    • CAS-2107-76-8
    • DIHYDROXY-4-METHYLCOUMARIN, 5,7-
    • 5,7-Dihydroxy-4-methylcoumarin (Standard)
    • CS-0032108
    • D4747
    • EU-0034205
    • NS00014748
    • ST50308913
    • 5,7-Dihydroxy-4-methyl-2H-chromen-2-one #
    • 5,7-DIHYDROXY-4-METHYLCOUMARIN [HSDB]
    • EN300-302651
    • F049602
    • 2H-1-Benzopyran-2-one, 5, 7-dihydroxy-4-methyl-
    • BRD-K17275330-001-03-9
    • Q27291948
    • 2107-76-8

  • Applications

    5,7-Dihydroxy-4-methylcoumarin (CAS 2107-76-8) is primarily used as a building block in organic synthesis and as a fragrance precursor in perfumery, with the hydroxy-substituted coumarin core enabling downstream derivatization to diverse derivatives. In practice it is occasionally employed as an intermediate in pharmaceuticals and agrochemicals, and it serves as a functionalized scaffold for coumarin-containing polymers in materials science. It can also act as a precursor to dyes and pigments for coatings and inks, and may be explored as a fluorescent probe or dye in electronics and optical applications, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.43
    methanol 24.75
    isopropanol 9.41
    water 0.35
    ethyl acetate 23.02
    n-propanol 10.93
    acetone 48.62
    n-butanol 9.98
    acetonitrile 27.7
    DMF 322.27
    toluene 0.82
    isobutanol 8.15
    1,4-dioxane 59.63
    methyl acetate 31.06
    THF 144.86
    2-butanone 22.25
    n-pentanol 10.09
    sec-butanol 6.13
    n-hexane 0.12
    ethylene glycol 18.82
    NMP 208.38
    cyclohexane 0.06
    DMSO 315.28
    n-butyl acetate 21.27
    n-octanol 13.53
    chloroform 0.86
    n-propyl acetate 24.21
    acetic acid 55.85
    dichloromethane 3.99
    cyclohexanone 31.33
    propylene glycol 18.89
    isopropyl acetate 14.75
    DMAc 124.74
    2-ethoxyethanol 61.62
    isopentanol 9.5
    n-heptane 0.43
    ethyl formate 32.92
    1,2-dichloroethane 5.3
    n-hexanol 10.7
    2-methoxyethanol 144.61
    isobutyl acetate 13.5
    tetrachloromethane 0.16
    n-pentyl acetate 19.49
    transcutol 207.19
    n-heptanol 9.34
    ethylbenzene 0.8
    MIBK 15.61
    2-propoxyethanol 80.98
    tert-butanol 15.83
    MTBE 5.93
    2-butoxyethanol 41.31
    propionic acid 24.41
    o-xylene 1.07
    formic acid 41.57
    diethyl ether 6.18
    m-xylene 1.5
    p-xylene 1.27
    chlorobenzene 1.86
    dimethyl carbonate 39.08
    n-octane 0.22
    formamide 83.21
    cyclopentanone 84.59
    2-pentanone 21.92
    anisole 8.32
    cyclopentyl methyl ether 23.45
    gamma-butyrolactone 172.04
    1-methoxy-2-propanol 98.81
    pyridine 11.68
    3-pentanone 10.72
    furfural 122.63
    n-dodecane 0.39
    diethylene glycol 100.64
    diisopropyl ether 1.92
    tert-amyl alcohol 8.47
    acetylacetone 61.83
    n-hexadecane 0.47
    acetophenone 14.81
    methyl propionate 33.27
    isopentyl acetate 17.22
    trichloroethylene 7.61
    n-nonanol 13.2
    cyclohexanol 6.7
    benzyl alcohol 11.63
    2-ethylhexanol 8.06
    isooctanol 8.22
    dipropyl ether 10.46
    1,2-dichlorobenzene 2.74
    ethyl lactate 28.1
    propylene carbonate 67.33
    n-methylformamide 116.46
    2-pentanol 5.65
    n-pentane 0.1
    1-propoxy-2-propanol 51.74
    1-methoxy-2-propyl acetate 51.0
    2-(2-methoxypropoxy) propanol 58.11
    mesitylene 1.07
    ε-caprolactone 45.57
    p-cymene 2.41
    epichlorohydrin 126.5
    1,1,1-trichloroethane 1.89
    2-aminoethanol 25.46
    morpholine-4-carbaldehyde 228.03
    sulfolane 232.03
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 36.89
    n-hexyl acetate 30.65
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 89.77
    sec-butyl acetate 11.35
    tert-butyl acetate 20.54
    decalin 0.21
    glycerin 55.4
    diglyme 145.01
    acrylic acid 33.46
    isopropyl myristate 12.01
    n-butyric acid 27.91
    acetyl acetate 21.08
    di(2-ethylhexyl) phthalate 15.65
    ethyl propionate 20.18
    nitromethane 205.19
    1,2-diethoxyethane 32.88
    benzonitrile 12.89
    trioctyl phosphate 13.39
    1-bromopropane 1.5
    gamma-valerolactone 201.42
    n-decanol 10.13
    triethyl phosphate 13.1
    4-methyl-2-pentanol 5.17
    propionitrile 13.23
    vinylene carbonate 52.47
    1,1,2-trichlorotrifluoroethane 68.44
    DMS 33.14
    cumene 1.12
    2-octanol 7.11
    2-hexanone 18.99
    octyl acetate 17.52
    limonene 3.45
    1,2-dimethoxyethane 101.58
    ethyl orthosilicate 10.85
    tributyl phosphate 15.44
    diacetone alcohol 47.51
    N,N-dimethylaniline 7.28
    acrylonitrile 27.87
    aniline 4.51
    1,3-propanediol 39.73
    bromobenzene 1.13
    dibromomethane 1.26
    1,1,2,2-tetrachloroethane 5.02
    2-methyl-cyclohexyl acetate 17.01
    tetrabutyl urea 22.94
    diisobutyl methanol 6.26
    2-phenylethanol 13.4
    styrene 0.76
    dioctyl adipate 24.0
    dimethyl sulfate 89.5
    ethyl butyrate 19.51
    methyl lactate 51.75
    butyl lactate 27.69
    diethyl carbonate 14.69
    propanediol butyl ether 54.25
    triethyl orthoformate 16.7
    p-tert-butyltoluene 2.38
    methyl 4-tert-butylbenzoate 33.25
    morpholine 68.88
    tert-butylamine 4.5
    n-dodecanol 7.38
    dimethoxymethane 134.0
    ethylene carbonate 39.19
    cyrene 66.92
    2-ethoxyethyl acetate 42.06
    2-ethylhexyl acetate 12.38
    1,2,4-trichlorobenzene 4.49
    4-methylpyridine 14.5
    dibutyl ether 10.74
    2,6-dimethyl-4-heptanol 6.26
    DEF 42.66
    dimethyl isosorbide 121.55
    tetrachloroethylene 2.01
    eugenol 39.33
    triacetin 43.43
    span 80 41.94
    1,4-butanediol 16.22
    1,1-dichloroethane 2.08
    2-methyl-1-pentanol 8.16
    methyl formate 124.05
    2-methyl-1-butanol 7.37
    n-decane 0.6
    butyronitrile 13.09
    3,7-dimethyl-1-octanol 11.88
    1-chlorooctane 3.61
    1-chlorotetradecane 1.68
    n-nonane 0.47
    undecane 0.48
    tert-butylcyclohexane 0.28
    cyclooctane 0.06
    cyclopentanol 15.46
    tetrahydropyran 14.04
    tert-amyl methyl ether 6.24
    2,5,8-trioxanonane 110.19
    1-hexene 0.7
    2-isopropoxyethanol 35.71
    2,2,2-trifluoroethanol 27.25
    methyl butyrate 27.45

    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