4-Methylcoumarin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    607-71-6

    Molecular formula
    C10H8O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 78.05%
    Coumarinic 57.58%
    Coconut 48.4%
    Powdery 46.01%
    Hay 42.34%
    Nutty 41.96%
    Phenolic 41.4%
    Tobacco 38.09%
    Creamy 34.23%
    Vanilla 33.62%

     

    Flavor
    Bitter 61.5%
    Sweet 53.07%
    Tonka 38.27%
    Almond 34.88%
    Green 31.21%
    Balsam 29.23%
    Phenolic 28.87%
    Tobacco 27.6%
    Woody 24.62%
    Nutty 23.87%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.98 (weak acid)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point

    • 124.32 ˚C est.

  • Synonyms

    • 4-Methylcoumarin
    • 607-71-6
    • 4-Methyl-2H-chromen-2-one
    • 4-methylchromen-2-one
    • 4-Methylcumarin
    • COUMARIN, 4-METHYL-
    • 2H-1-Benzopyran-2-one, 4-methyl-
    • 4-Methyl-chromen-2-one
    • 4-Methyl-2H-1-benzopyran-2-one
    • EINECS 210-141-1
    • UNII-2YZ8R79U9H
    • NSC 20100
    • BRN 0121648
    • 2YZ8R79U9H
    • NSC-20100
    • METHYLCOUMARIN, 4-
    • DTXSID00209516
    • 5-17-10-00166 (Beilstein Handbook Reference)
    • NSC20100
    • 4-METHYLUMBELLIFERYL
    • MFCD00185474
    • 2H-1-Benzopyran-2-one, 4-methyl- (9CI)
    • SCHEMBL66891
    • CHEMBL12279
    • WLN: T66 BOVJ E1
    • 4-Methyl-2H-chromen-2-one #
    • DTXCID50132007
    • HMS1693J19
    • BCP28723
    • AKOS000277307
    • DB08785
    • AS-17408
    • PD004533
    • 1ST164094
    • 2H-1-Benzopyran-2-one, 4-methyl-(9CI)
    • M3041
    • NS00014399
    • Q27097965
    • 210-141-1

  • Applications

    4-Methylcoumarin is a coumarin derivative that is primarily used as an odorant in perfumery and personal care, and as a synthetic intermediate in the preparation of fragrances, dyes and polymer materials. It is also encountered as a fluorophore scaffold in research contexts, where it can contribute to fluorescent probes or analytical reagents. In coatings, inks, and household formulations, it may be used as a fragrance additive or as a chemical building block for custom formulations. Its exact application depends on regulatory status and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 119.63
    methanol 135.15
    isopropanol 75.0
    water 0.58
    ethyl acetate 226.73
    n-propanol 98.78
    acetone 455.57
    n-butanol 83.47
    acetonitrile 260.97
    DMF 849.51
    toluene 121.36
    isobutanol 67.54
    1,4-dioxane 946.82
    methyl acetate 263.07
    THF 1097.41
    2-butanone 311.76
    n-pentanol 77.27
    sec-butanol 68.74
    n-hexane 16.61
    ethylene glycol 26.98
    NMP 534.96
    cyclohexane 13.31
    DMSO 924.55
    n-butyl acetate 175.49
    n-octanol 64.17
    chloroform 421.14
    n-propyl acetate 165.68
    acetic acid 142.32
    dichloromethane 700.85
    cyclohexanone 441.03
    propylene glycol 18.51
    isopropyl acetate 121.31
    DMAc 305.91
    2-ethoxyethanol 167.06
    isopentanol 76.82
    n-heptane 16.03
    ethyl formate 141.51
    1,2-dichloroethane 594.29
    n-hexanol 103.0
    2-methoxyethanol 287.74
    isobutyl acetate 103.29
    tetrachloromethane 38.6
    n-pentyl acetate 124.33
    transcutol 466.44
    n-heptanol 61.08
    ethylbenzene 63.23
    MIBK 143.19
    2-propoxyethanol 245.62
    tert-butanol 100.15
    MTBE 126.52
    2-butoxyethanol 130.31
    propionic acid 113.95
    o-xylene 61.34
    formic acid 44.92
    diethyl ether 234.83
    m-xylene 84.9
    p-xylene 83.05
    chlorobenzene 157.72
    dimethyl carbonate 141.16
    n-octane 9.35
    formamide 141.2
    cyclopentanone 711.04
    2-pentanone 253.94
    anisole 158.3
    cyclopentyl methyl ether 344.6
    gamma-butyrolactone 777.1
    1-methoxy-2-propanol 196.22
    pyridine 418.3
    3-pentanone 200.21
    furfural 406.2
    n-dodecane 8.38
    diethylene glycol 168.19
    diisopropyl ether 52.85
    tert-amyl alcohol 81.55
    acetylacetone 308.16
    n-hexadecane 9.9
    acetophenone 135.59
    methyl propionate 231.27
    isopentyl acetate 133.28
    trichloroethylene 760.72
    n-nonanol 59.99
    cyclohexanol 94.82
    benzyl alcohol 95.55
    2-ethylhexanol 67.14
    isooctanol 51.97
    dipropyl ether 108.42
    1,2-dichlorobenzene 130.62
    ethyl lactate 65.55
    propylene carbonate 244.36
    n-methylformamide 319.29
    2-pentanol 58.2
    n-pentane 10.64
    1-propoxy-2-propanol 139.49
    1-methoxy-2-propyl acetate 166.18
    2-(2-methoxypropoxy) propanol 117.8
    mesitylene 50.12
    ε-caprolactone 313.44
    p-cymene 42.89
    epichlorohydrin 946.83
    1,1,1-trichloroethane 236.45
    2-aminoethanol 48.87
    morpholine-4-carbaldehyde 529.36
    sulfolane 744.21
    2,2,4-trimethylpentane 7.06
    2-methyltetrahydrofuran 505.85
    n-hexyl acetate 169.2
    isooctane 7.12
    2-(2-butoxyethoxy)ethanol 181.46
    sec-butyl acetate 95.89
    tert-butyl acetate 139.31
    decalin 13.77
    glycerin 43.4
    diglyme 356.46
    acrylic acid 110.67
    isopropyl myristate 67.3
    n-butyric acid 132.11
    acetyl acetate 121.98
    di(2-ethylhexyl) phthalate 53.36
    ethyl propionate 145.41
    nitromethane 484.67
    1,2-diethoxyethane 193.93
    benzonitrile 142.0
    trioctyl phosphate 46.04
    1-bromopropane 213.34
    gamma-valerolactone 713.52
    n-decanol 48.39
    triethyl phosphate 59.5
    4-methyl-2-pentanol 43.81
    propionitrile 175.33
    vinylene carbonate 226.43
    1,1,2-trichlorotrifluoroethane 206.6
    DMS 168.71
    cumene 44.52
    2-octanol 49.21
    2-hexanone 180.3
    octyl acetate 86.63
    limonene 54.7
    1,2-dimethoxyethane 410.08
    ethyl orthosilicate 56.51
    tributyl phosphate 55.41
    diacetone alcohol 158.28
    N,N-dimethylaniline 97.58
    acrylonitrile 258.08
    aniline 116.94
    1,3-propanediol 88.66
    bromobenzene 164.8
    dibromomethane 373.62
    1,1,2,2-tetrachloroethane 417.53
    2-methyl-cyclohexyl acetate 91.96
    tetrabutyl urea 76.29
    diisobutyl methanol 42.44
    2-phenylethanol 116.02
    styrene 73.34
    dioctyl adipate 86.68
    dimethyl sulfate 243.49
    ethyl butyrate 106.51
    methyl lactate 78.51
    butyl lactate 78.78
    diethyl carbonate 73.75
    propanediol butyl ether 98.25
    triethyl orthoformate 71.92
    p-tert-butyltoluene 42.31
    methyl 4-tert-butylbenzoate 126.32
    morpholine 758.86
    tert-butylamine 57.66
    n-dodecanol 38.3
    dimethoxymethane 508.5
    ethylene carbonate 194.07
    cyrene 121.1
    2-ethoxyethyl acetate 177.77
    2-ethylhexyl acetate 107.84
    1,2,4-trichlorobenzene 146.34
    4-methylpyridine 319.93
    dibutyl ether 95.49
    2,6-dimethyl-4-heptanol 42.44
    DEF 265.59
    dimethyl isosorbide 231.9
    tetrachloroethylene 238.01
    eugenol 128.59
    triacetin 132.05
    span 80 94.39
    1,4-butanediol 39.6
    1,1-dichloroethane 318.77
    2-methyl-1-pentanol 68.74
    methyl formate 265.79
    2-methyl-1-butanol 68.64
    n-decane 13.08
    butyronitrile 152.3
    3,7-dimethyl-1-octanol 59.45
    1-chlorooctane 58.52
    1-chlorotetradecane 24.98
    n-nonane 12.6
    undecane 10.36
    tert-butylcyclohexane 14.46
    cyclooctane 6.2
    cyclopentanol 135.93
    tetrahydropyran 540.02
    tert-amyl methyl ether 95.58
    2,5,8-trioxanonane 214.8
    1-hexene 67.21
    2-isopropoxyethanol 115.59
    2,2,2-trifluoroethanol 61.77
    methyl butyrate 185.38

    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