7,8-Dihydroxy-4-methylcoumarin

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  • Identifiers

    CAS number
    2107-77-9

    Molecular formula
    C10H8O4

    SMILES
    CC1=CC(=O)OC2=C1C=CC(=C2O)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Phenolic 55.54%
    Burnt 43.09%
    Odorless 42.91%
    Smoky 27.75%
    Caramellic 27.23%
    Spicy 24.64%
    Vanilla 24.22%
    Medicinal 23.18%
    Dry 22.46%
    Savory 21.72%

     

    Flavor
    Bitter 80.17%
    Sweet 24.47%
    Phenolic 24.35%
    Mild 23.61%
    Eugenol 21.65%
    Curry 21.21%
    Heliotropin 20.89%
    Flat 20.89%
    Ham 20.84%
    Fragrant 20.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.71 (neutral)

    Molecular weight
    192.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    445°C

    Flash point

    • 184.35 ˚C est.

  • Synonyms

    • 2107-77-9
    • 7,8-DIHYDROXY-4-METHYLCOUMARIN
    • 2H-1-Benzopyran-2-one, 7,8-dihydroxy-4-methyl-
    • 7,8-dihydroxy-4-methylchromen-2-one
    • 7,8-Dihydroxy-4-methyl-2H-1-benzopyran-2-one
    • NSC-45795
    • NSC-72276
    • 5Z87S33XES
    • DTXSID30175295
    • DH-methylcoumarin
    • RefChem:99870
    • 7,8-DHMC
    • DTXCID6097786
    • 218-290-4
    • 4-Methyldaphnetin
    • 7,8-Dihydroxy-4-methyl-2H-chromen-2-one
    • DHMC
    • 4-Methyl-7,8-dihydroxycoumarin
    • 4-Methyldaphnetine
    • MFCD00016972
    • 7,8-Dihydroxy-4-methyl-chromen-2-one
    • Coumarin, 7,8-dihydroxy-4-methyl-
    • 7,8-Dihydroxy-4-methyl-2-benzopyrone
    • CHEMBL276618
    • NSC45795
    • Coumarin,8-dihydroxy-4-methyl-
    • WLN: T66 BOVJ E1 IQ JQ
    • 2H-1-Benzopyran-2-one,8-dihydroxy-4-methyl-
    • SR-01000480657
    • EINECS 218-290-4
    • NSC 45795
    • NSC 72276
    • ortho-dihydroxycoumarin
    • BRN 0177613
    • Spectrum_001033
    • SpecPlus_000497
    • Spectrum2_000321
    • Spectrum3_000596
    • Spectrum4_001721
    • Spectrum5_000482
    • Oprea1_604916
    • BSPBio_002072
    • KBioGR_002102
    • KBioSS_001513
    • MLS002207178
    • DivK1c_006593
    • SPECTRUM1500730
    • SPBio_000321
    • orb1297685
    • SCHEMBL1065373
    • SCHEMBL29671915
    • KBio1_001537
    • KBio2_001513
    • KBio2_004081
    • KBio2_006649
    • KBio3_001572
    • CHEBI:107667
    • GLXC-07723
    • ALBB-024843
    • BB_NC-01804
    • HY-N4286
    • NSC72276
    • BBL027826
    • BDBM50022184
    • CCG-38597
    • s9000
    • SBB072361
    • STK372480
    • AKOS003239199
    • EBC-462064
    • FD74019
    • 7,8-Dihydroxy-4-methylcoumarin, 97%
    • NCGC00095917-01
    • NCGC00095917-02
    • NCGC00178834-01
    • AS-66969
    • DA-70112
    • SMR001306753
    • SY051919
    • 7,8-dihydroxy-4-methyl-1-benzopyran-2-one
    • CS-0032640
    • D4793
    • NS00014771
    • ST45027977
    • 7,8-Dihydroxy-4-methyl-2H-chromen-2-one #
    • 5-18-03-00234 (Beilstein Handbook Reference)
    • SR-01000480657-1
    • SR-01000480657-2
    • BRD-K49207204-001-02-9
    • BRD-K49207204-001-04-5
    • Q27185989
    • 2107-77-9

  • Applications

    7,8-Dihydroxy-4-methylcoumarin (CAS 2107-77-9) is primarily used as an intermediate in the synthesis of more complex coumarin derivatives. In industry, it is commonly evaluated as a fragrance precursor or building block for aroma formulations. It also serves as a starting material or intermediate in polymer, plastic, and coating formulations, where it can contribute to dye or pigment precursors for inks and surface coatings. The coumarin framework bearing adjacent hydroxyl groups provides a scaffold for fluorescent probes and sensors in electronics and analytical chemistry. Additionally, it is explored as an intermediate in pharmaceutical and agrochemical research, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.9
    methanol 30.6
    isopropanol 13.86
    water 0.17
    ethyl acetate 7.45
    n-propanol 13.92
    acetone 39.78
    n-butanol 11.32
    acetonitrile 10.38
    DMF 215.03
    toluene 2.14
    isobutanol 8.57
    1,4-dioxane 22.94
    methyl acetate 12.43
    THF 75.84
    2-butanone 22.56
    n-pentanol 9.94
    sec-butanol 8.54
    n-hexane 0.14
    ethylene glycol 11.12
    NMP 80.49
    cyclohexane 0.13
    DMSO 223.1
    n-butyl acetate 9.51
    n-octanol 11.91
    chloroform 0.66
    n-propyl acetate 7.23
    acetic acid 14.02
    dichloromethane 4.27
    cyclohexanone 19.83
    propylene glycol 5.82
    isopropyl acetate 6.11
    DMAc 94.65
    2-ethoxyethanol 34.2
    isopentanol 11.09
    n-heptane 0.84
    ethyl formate 11.22
    1,2-dichloroethane 7.55
    n-hexanol 11.16
    2-methoxyethanol 69.76
    isobutyl acetate 3.48
    tetrachloromethane 0.28
    n-pentyl acetate 12.96
    transcutol 50.83
    n-heptanol 12.81
    ethylbenzene 2.06
    MIBK 9.2
    2-propoxyethanol 35.62
    tert-butanol 22.26
    MTBE 7.78
    2-butoxyethanol 28.41
    propionic acid 6.87
    o-xylene 3.04
    formic acid 15.3
    diethyl ether 5.93
    m-xylene 3.06
    p-xylene 2.97
    chlorobenzene 2.4
    dimethyl carbonate 9.77
    n-octane 0.55
    formamide 46.78
    cyclopentanone 46.1
    2-pentanone 15.72
    anisole 8.27
    cyclopentyl methyl ether 12.38
    gamma-butyrolactone 46.99
    1-methoxy-2-propanol 38.56
    pyridine 16.02
    3-pentanone 9.09
    furfural 39.32
    n-dodecane 0.73
    diethylene glycol 36.22
    diisopropyl ether 1.94
    tert-amyl alcohol 13.16
    acetylacetone 21.75
    n-hexadecane 0.83
    acetophenone 12.16
    methyl propionate 11.07
    isopentyl acetate 9.57
    trichloroethylene 6.79
    n-nonanol 12.26
    cyclohexanol 6.11
    benzyl alcohol 11.14
    2-ethylhexanol 7.27
    isooctanol 10.21
    dipropyl ether 7.65
    1,2-dichlorobenzene 3.26
    ethyl lactate 7.36
    propylene carbonate 13.81
    n-methylformamide 61.26
    2-pentanol 5.98
    n-pentane 0.17
    1-propoxy-2-propanol 21.58
    1-methoxy-2-propyl acetate 16.52
    2-(2-methoxypropoxy) propanol 25.37
    mesitylene 2.1
    ε-caprolactone 16.48
    p-cymene 4.4
    epichlorohydrin 52.85
    1,1,1-trichloroethane 1.88
    2-aminoethanol 14.62
    morpholine-4-carbaldehyde 64.27
    sulfolane 74.15
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 21.97
    n-hexyl acetate 16.59
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 36.05
    sec-butyl acetate 3.98
    tert-butyl acetate 9.7
    decalin 0.3
    glycerin 17.03
    diglyme 61.6
    acrylic acid 7.87
    isopropyl myristate 7.89
    n-butyric acid 9.08
    acetyl acetate 4.87
    di(2-ethylhexyl) phthalate 8.87
    ethyl propionate 6.26
    nitromethane 42.25
    1,2-diethoxyethane 17.61
    benzonitrile 9.71
    trioctyl phosphate 8.44
    1-bromopropane 2.32
    gamma-valerolactone 56.77
    n-decanol 9.87
    triethyl phosphate 5.63
    4-methyl-2-pentanol 4.42
    propionitrile 8.34
    vinylene carbonate 11.56
    1,1,2-trichlorotrifluoroethane 21.74
    DMS 9.64
    cumene 2.25
    2-octanol 9.14
    2-hexanone 11.61
    octyl acetate 11.65
    limonene 5.32
    1,2-dimethoxyethane 58.67
    ethyl orthosilicate 5.44
    tributyl phosphate 7.28
    diacetone alcohol 24.35
    N,N-dimethylaniline 9.72
    acrylonitrile 15.71
    aniline 5.81
    1,3-propanediol 24.18
    bromobenzene 1.74
    dibromomethane 1.69
    1,1,2,2-tetrachloroethane 5.08
    2-methyl-cyclohexyl acetate 8.17
    tetrabutyl urea 14.09
    diisobutyl methanol 5.6
    2-phenylethanol 12.9
    styrene 1.71
    dioctyl adipate 11.1
    dimethyl sulfate 22.74
    ethyl butyrate 7.33
    methyl lactate 11.94
    butyl lactate 11.02
    diethyl carbonate 4.99
    propanediol butyl ether 21.49
    triethyl orthoformate 6.52
    p-tert-butyltoluene 4.24
    methyl 4-tert-butylbenzoate 21.14
    morpholine 31.23
    tert-butylamine 8.08
    n-dodecanol 7.55
    dimethoxymethane 61.94
    ethylene carbonate 8.71
    cyrene 26.16
    2-ethoxyethyl acetate 18.47
    2-ethylhexyl acetate 6.5
    1,2,4-trichlorobenzene 4.67
    4-methylpyridine 14.67
    dibutyl ether 8.37
    2,6-dimethyl-4-heptanol 5.6
    DEF 24.19
    dimethyl isosorbide 41.39
    tetrachloroethylene 3.27
    eugenol 21.13
    triacetin 14.09
    span 80 17.64
    1,4-butanediol 10.43
    1,1-dichloroethane 2.36
    2-methyl-1-pentanol 8.39
    methyl formate 42.68
    2-methyl-1-butanol 8.45
    n-decane 1.12
    butyronitrile 8.37
    3,7-dimethyl-1-octanol 9.4
    1-chlorooctane 4.61
    1-chlorotetradecane 2.18
    n-nonane 0.85
    undecane 0.9
    tert-butylcyclohexane 0.34
    cyclooctane 0.12
    cyclopentanol 10.49
    tetrahydropyran 10.82
    tert-amyl methyl ether 6.83
    2,5,8-trioxanonane 45.95
    1-hexene 0.91
    2-isopropoxyethanol 19.36
    2,2,2-trifluoroethanol 6.41
    methyl butyrate 9.32

    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