7-Methylcoumarin

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  • Identifiers

    CAS number
    2445-83-2

    Molecular formula
    C10H8O2

    SMILES
    CC1=CC2=C(C=C1)C=CC(=O)O2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 90.38%
    Coumarinic 67.65%
    Powdery 57.78%
    Coconut 53.21%
    Hay 48.76%
    Floral 46.74%
    Vanilla 42.3%
    Nutty 41.69%
    Creamy 40.12%
    Phenolic 39.52%

     

    Flavor
    Sweet 68.39%
    Bitter 60.65%
    Tonka 44.49%
    Almond 41.73%
    Balsam 33.72%
    Green 33.6%
    Phenolic 30.95%
    Tobacco 30.76%
    Woody 27.93%
    Cherry 25.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.46 (weak acid)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    287°C

    Flash point

    • 124.3 ˚C est.

  • Synonyms

    • 7-Methylcoumarin
    • 2445-83-2
    • 7-Methyl-2H-chromen-2-one
    • 7-methylchromen-2-one
    • 2H-1-Benzopyran-2-one, 7-methyl-
    • 7-Methyl coumarin
    • COUMARIN, 7-METHYL-
    • 7-Methylcumarin
    • 7-Methyl-2H-1-benzopyran-2-one
    • 7-Methyl-Coumarin
    • 7-Methyl-chromen-2-one
    • UNII-YCN83T03QU
    • EINECS 219-499-3
    • YCN83T03QU
    • MFCD00006880
    • NSC 19511
    • BRN 0122625
    • NSC19511
    • NSC-19511
    • DTXSID0062424
    • 5-17-10-00169 (Beilstein Handbook Reference)
    • 7-Methylcoumarin (Standard)
    • SCHEMBL76393
    • 7-Methylcoumarin, >=98%
    • CHEMBL346541
    • DTXCID4037083
    • 7-Methyl-2H-chromen-2-one #
    • HY-N5092R
    • CHEBI:166605
    • HY-N5092
    • 7-Methylcoumarin, analytical standard
    • AKOS015842507
    • FM71675
    • NCI60_001631
    • PD158960
    • SY051344
    • TS-02124
    • DB-046453
    • CS-0032411
    • M1236
    • NS00027665
    • EN300-98011
    • P50004
    • 7-Methylcoumarin 100 microg/mL in Acetonitrile
    • Q27294453
    • 219-499-3

  • Applications

    7-Methylcoumarin (CAS 2445-83-2) is used as a fragrance component in perfumery and cosmetics, and as a fragrance additive in household products. It serves as a chemical intermediate for the synthesis of coumarin-based dyes and for specialty polymers, as well as for UV-curable coating and ink systems. It is used as a fluorescent building block for analytical probes and labeling in optical applications. Additionally, it acts as a synthetic precursor for several coumarin derivatives studied for pharmaceutical and agricultural research, within regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.12
    methanol 61.91
    isopropanol 51.84
    water 0.27
    ethyl acetate 157.82
    n-propanol 60.7
    acetone 288.84
    n-butanol 55.39
    acetonitrile 163.24
    DMF 1175.42
    toluene 49.73
    isobutanol 53.58
    1,4-dioxane 236.35
    methyl acetate 192.92
    THF 348.51
    2-butanone 239.68
    n-pentanol 47.81
    sec-butanol 53.94
    n-hexane 2.47
    ethylene glycol 11.72
    NMP 380.69
    cyclohexane 3.54
    DMSO 411.93
    n-butyl acetate 129.52
    n-octanol 43.66
    chloroform 131.38
    n-propyl acetate 107.45
    acetic acid 99.64
    dichloromethane 321.5
    cyclohexanone 260.69
    propylene glycol 15.49
    isopropyl acetate 78.49
    DMAc 430.99
    2-ethoxyethanol 81.24
    isopentanol 57.47
    n-heptane 7.44
    ethyl formate 151.11
    1,2-dichloroethane 217.45
    n-hexanol 71.17
    2-methoxyethanol 149.92
    isobutyl acetate 60.78
    tetrachloromethane 10.31
    n-pentyl acetate 74.44
    transcutol 271.97
    n-heptanol 39.33
    ethylbenzene 35.21
    MIBK 81.31
    2-propoxyethanol 127.8
    tert-butanol 76.83
    MTBE 62.41
    2-butoxyethanol 79.4
    propionic acid 82.47
    o-xylene 41.41
    formic acid 24.99
    diethyl ether 63.77
    m-xylene 42.43
    p-xylene 52.55
    chlorobenzene 75.33
    dimethyl carbonate 76.26
    n-octane 3.75
    formamide 101.05
    cyclopentanone 392.13
    2-pentanone 162.09
    anisole 102.44
    cyclopentyl methyl ether 105.76
    gamma-butyrolactone 414.21
    1-methoxy-2-propanol 104.06
    pyridine 227.68
    3-pentanone 117.06
    furfural 299.57
    n-dodecane 4.89
    diethylene glycol 71.64
    diisopropyl ether 18.73
    tert-amyl alcohol 63.12
    acetylacetone 180.25
    n-hexadecane 5.58
    acetophenone 110.44
    methyl propionate 150.85
    isopentyl acetate 103.73
    trichloroethylene 359.46
    n-nonanol 41.83
    cyclohexanol 51.15
    benzyl alcohol 70.05
    2-ethylhexanol 51.91
    isooctanol 34.05
    dipropyl ether 65.4
    1,2-dichlorobenzene 73.56
    ethyl lactate 45.2
    propylene carbonate 188.45
    n-methylformamide 311.71
    2-pentanol 36.6
    n-pentane 2.29
    1-propoxy-2-propanol 88.32
    1-methoxy-2-propyl acetate 110.6
    2-(2-methoxypropoxy) propanol 95.46
    mesitylene 24.37
    ε-caprolactone 212.08
    p-cymene 35.89
    epichlorohydrin 445.39
    1,1,1-trichloroethane 95.58
    2-aminoethanol 29.02
    morpholine-4-carbaldehyde 363.72
    sulfolane 330.18
    2,2,4-trimethylpentane 3.11
    2-methyltetrahydrofuran 187.09
    n-hexyl acetate 103.65
    isooctane 2.43
    2-(2-butoxyethoxy)ethanol 119.02
    sec-butyl acetate 61.24
    tert-butyl acetate 78.13
    decalin 5.44
    glycerin 26.06
    diglyme 244.67
    acrylic acid 73.27
    isopropyl myristate 45.99
    n-butyric acid 102.88
    acetyl acetate 85.04
    di(2-ethylhexyl) phthalate 44.47
    ethyl propionate 99.43
    nitromethane 339.42
    1,2-diethoxyethane 121.88
    benzonitrile 119.5
    trioctyl phosphate 34.57
    1-bromopropane 72.17
    gamma-valerolactone 419.36
    n-decanol 34.61
    triethyl phosphate 46.87
    4-methyl-2-pentanol 26.5
    propionitrile 121.42
    vinylene carbonate 188.84
    1,1,2-trichlorotrifluoroethane 122.0
    DMS 100.54
    cumene 30.37
    2-octanol 30.43
    2-hexanone 112.66
    octyl acetate 60.93
    limonene 44.9
    1,2-dimethoxyethane 255.26
    ethyl orthosilicate 40.27
    tributyl phosphate 44.6
    diacetone alcohol 99.66
    N,N-dimethylaniline 76.0
    acrylonitrile 204.88
    aniline 60.84
    1,3-propanediol 53.68
    bromobenzene 71.48
    dibromomethane 127.85
    1,1,2,2-tetrachloroethane 190.65
    2-methyl-cyclohexyl acetate 75.82
    tetrabutyl urea 66.88
    diisobutyl methanol 29.23
    2-phenylethanol 77.63
    styrene 39.87
    dioctyl adipate 72.94
    dimethyl sulfate 116.99
    ethyl butyrate 101.2
    methyl lactate 50.48
    butyl lactate 54.5
    diethyl carbonate 72.42
    propanediol butyl ether 61.63
    triethyl orthoformate 57.72
    p-tert-butyltoluene 30.83
    methyl 4-tert-butylbenzoate 98.71
    morpholine 231.19
    tert-butylamine 37.13
    n-dodecanol 28.78
    dimethoxymethane 266.12
    ethylene carbonate 144.44
    cyrene 95.91
    2-ethoxyethyl acetate 114.46
    2-ethylhexyl acetate 83.42
    1,2,4-trichlorobenzene 86.18
    4-methylpyridine 220.92
    dibutyl ether 58.2
    2,6-dimethyl-4-heptanol 29.23
    DEF 233.42
    dimethyl isosorbide 171.01
    tetrachloroethylene 89.23
    eugenol 92.41
    triacetin 97.95
    span 80 70.81
    1,4-butanediol 23.58
    1,1-dichloroethane 145.08
    2-methyl-1-pentanol 49.7
    methyl formate 253.32
    2-methyl-1-butanol 54.25
    n-decane 6.8
    butyronitrile 116.68
    3,7-dimethyl-1-octanol 46.05
    1-chlorooctane 30.28
    1-chlorotetradecane 15.44
    n-nonane 5.95
    undecane 5.73
    tert-butylcyclohexane 5.41
    cyclooctane 1.5
    cyclopentanol 68.55
    tetrahydropyran 140.42
    tert-amyl methyl ether 50.92
    2,5,8-trioxanonane 164.05
    1-hexene 19.07
    2-isopropoxyethanol 63.91
    2,2,2-trifluoroethanol 39.01
    methyl butyrate 147.87

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
7-Methylcoumarin should not be used as a fragrance ingredient.