7-Ethoxy-4-methylcoumarin

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  • Identifiers

    CAS number
    87-05-8

    Molecular formula
    C12H12O3

    SMILES
    CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C

  • Odor profile

    Fragrance
    Sweet 54.19%
    Nutty 42.99%
    Phenolic 41.52%
    Coumarinic 39.46%
    Powdery 36.79%
    Vanilla 34.9%
    Animal 33.42%
    Hay 32.89%
    Coconut 31.65%
    Tobacco 31.51%

     

    Flavor
    Bitter 56.58%
    Sweet 45.51%
    Balsam 31.79%
    Tonka 27.9%
    Spice 26.29%
    Woody 26.07%
    Vanilla 25.28%
    Balsamic 23.72%
    Powdery 23.3%
    Creamy 22.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.84 (neutral)

    Molecular weight
    204.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 114 °C

    Boiling point

    • 350.00 to 352.00 °C. @ 760.00 mm Hg

    Flash point

    • 151.8 ˚C est.

  • Synonyms

    • 7-Ethoxy-4-methylcoumarin
    • 87-05-8
    • 7-Ethoxy-4-methyl-2H-chromen-2-one
    • 4-Methyl-7-ethoxycoumarin
    • 2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl-
    • 7-ethoxy-4-methylchromen-2-one
    • Coumarin, 7-ethoxy-4-methyl-
    • Maraniol
    • UNII-ZLV1S0NNZH
    • ZLV1S0NNZH
    • 7-Ethoxy-4-methyl-2H-1-benzopyran-2-one
    • 7-ethoxy-4-methyl-chromen-2-one
    • EINECS 201-721-5
    • NSC 60561
    • NSC-60561
    • AI3-08086
    • DTXSID3058953
    • Ethyl 4-methylumbelliferyl ether
    • NSC60561
    • 4-METHYLUMBELLIFERONE ETHYL ETHER
    • 7-Ethoxy-4-methyl-2H-a-benzopyran-2-one
    • Madescol
    • Ethoxy resocyanin
    • MFCD00016971
    • ST060225
    • 7-ethoxy-4-methyl-coumarin
    • SCHEMBL66273
    • CHEMBL1982193
    • DTXCID1048548
    • CHEBI:169008
    • 7-Ethoxy-4-methylcoumarin, 98%
    • HMS1668E09
    • HY-D0092
    • STK374266
    • AKOS005446873
    • Coumarin, 7-ethoxy-4-methyl- (8CI)
    • FE35607
    • PS-5273
    • 7-Ethoxy-4-methyl-2H-chromen-2-one #
    • NCI60_004642
    • PD044698
    • DB-056968
    • CS-0010002
    • E0491
    • NS00022849
    • D90531
    • EN300-7387782
    • Q27295711
    • Z53836590
    • 7-Ethoxy-4-methylcoumarin 100 microg/mL in Acetonitrile
    • 201-721-5

  • Applications

    7-Ethoxy-4-methylcoumarin (CAS 87-05-8) is a coumarin derivative commonly used as a fragrance ingredient in perfumery and cosmetics, where it can function as an aroma compound and potential fixative. It may be employed as a chemical intermediate in industrial manufacturing, including the synthesis of dyes and pigments for coatings, inks, and specialty plastics. Depending on formulation and regulatory controls, it is often evaluated as a building block for pharmaceutical synthesis. In household products such as air fresheners and cleaners, it can contribute aroma characteristics, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.83
    methanol 21.44
    isopropanol 11.52
    water 0.06
    ethyl acetate 46.01
    n-propanol 16.06
    acetone 66.34
    n-butanol 17.61
    acetonitrile 32.32
    DMF 308.8
    toluene 20.38
    isobutanol 14.38
    1,4-dioxane 112.31
    methyl acetate 55.6
    THF 245.15
    2-butanone 53.32
    n-pentanol 12.84
    sec-butanol 11.65
    n-hexane 0.89
    ethylene glycol 11.49
    NMP 374.14
    cyclohexane 1.22
    DMSO 327.23
    n-butyl acetate 39.83
    n-octanol 4.92
    chloroform 119.58
    n-propyl acetate 31.98
    acetic acid 62.59
    dichloromethane 190.27
    cyclohexanone 116.51
    propylene glycol 9.69
    isopropyl acetate 30.32
    DMAc 249.05
    2-ethoxyethanol 44.51
    isopentanol 20.46
    n-heptane 0.78
    ethyl formate 26.17
    1,2-dichloroethane 154.19
    n-hexanol 12.95
    2-methoxyethanol 104.15
    isobutyl acetate 23.85
    tetrachloromethane 7.45
    n-pentyl acetate 19.4
    transcutol 267.52
    n-heptanol 6.6
    ethylbenzene 9.88
    MIBK 33.97
    2-propoxyethanol 62.05
    tert-butanol 23.8
    MTBE 27.46
    2-butoxyethanol 25.4
    propionic acid 31.87
    o-xylene 14.99
    formic acid 26.92
    diethyl ether 24.7
    m-xylene 16.25
    p-xylene 14.46
    chlorobenzene 46.45
    dimethyl carbonate 51.02
    n-octane 0.36
    formamide 60.59
    cyclopentanone 179.29
    2-pentanone 46.6
    anisole 43.33
    cyclopentyl methyl ether 83.7
    gamma-butyrolactone 227.27
    1-methoxy-2-propanol 64.44
    pyridine 95.28
    3-pentanone 40.2
    furfural 192.69
    n-dodecane 0.46
    diethylene glycol 65.48
    diisopropyl ether 8.24
    tert-amyl alcohol 19.55
    acetylacetone 90.48
    n-hexadecane 0.56
    acetophenone 47.14
    methyl propionate 58.11
    isopentyl acetate 42.74
    trichloroethylene 290.8
    n-nonanol 5.66
    cyclohexanol 23.57
    benzyl alcohol 31.11
    2-ethylhexanol 11.52
    isooctanol 6.93
    dipropyl ether 17.12
    1,2-dichlorobenzene 50.79
    ethyl lactate 20.77
    propylene carbonate 89.03
    n-methylformamide 74.86
    2-pentanol 10.2
    n-pentane 0.67
    1-propoxy-2-propanol 38.86
    1-methoxy-2-propyl acetate 68.13
    2-(2-methoxypropoxy) propanol 52.58
    mesitylene 9.26
    ε-caprolactone 102.14
    p-cymene 9.98
    epichlorohydrin 311.52
    1,1,1-trichloroethane 62.69
    2-aminoethanol 18.5
    morpholine-4-carbaldehyde 287.92
    sulfolane 331.69
    2,2,4-trimethylpentane 1.27
    2-methyltetrahydrofuran 115.01
    n-hexyl acetate 25.58
    isooctane 0.93
    2-(2-butoxyethoxy)ethanol 57.31
    sec-butyl acetate 23.95
    tert-butyl acetate 47.27
    decalin 2.04
    glycerin 33.17
    diglyme 144.55
    acrylic acid 42.43
    isopropyl myristate 12.61
    n-butyric acid 39.35
    acetyl acetate 41.15
    di(2-ethylhexyl) phthalate 19.2
    ethyl propionate 33.12
    nitromethane 175.04
    1,2-diethoxyethane 53.33
    benzonitrile 39.69
    trioctyl phosphate 10.68
    1-bromopropane 34.18
    gamma-valerolactone 276.81
    n-decanol 4.61
    triethyl phosphate 27.96
    4-methyl-2-pentanol 9.46
    propionitrile 25.31
    vinylene carbonate 85.14
    1,1,2-trichlorotrifluoroethane 134.15
    DMS 61.51
    cumene 8.5
    2-octanol 4.23
    2-hexanone 32.34
    octyl acetate 15.4
    limonene 14.06
    1,2-dimethoxyethane 109.25
    ethyl orthosilicate 25.56
    tributyl phosphate 17.83
    diacetone alcohol 57.74
    N,N-dimethylaniline 32.7
    acrylonitrile 45.84
    aniline 42.35
    1,3-propanediol 31.83
    bromobenzene 46.27
    dibromomethane 83.58
    1,1,2,2-tetrachloroethane 172.96
    2-methyl-cyclohexyl acetate 36.06
    tetrabutyl urea 24.84
    diisobutyl methanol 9.45
    2-phenylethanol 32.04
    styrene 12.9
    dioctyl adipate 26.14
    dimethyl sulfate 131.47
    ethyl butyrate 32.38
    methyl lactate 34.16
    butyl lactate 19.3
    diethyl carbonate 29.37
    propanediol butyl ether 20.88
    triethyl orthoformate 29.63
    p-tert-butyltoluene 9.89
    methyl 4-tert-butylbenzoate 40.58
    morpholine 145.93
    tert-butylamine 11.97
    n-dodecanol 3.86
    dimethoxymethane 144.98
    ethylene carbonate 64.62
    cyrene 65.05
    2-ethoxyethyl acetate 47.36
    2-ethylhexyl acetate 34.09
    1,2,4-trichlorobenzene 68.89
    4-methylpyridine 94.75
    dibutyl ether 12.46
    2,6-dimethyl-4-heptanol 9.45
    DEF 86.98
    dimethyl isosorbide 124.44
    tetrachloroethylene 85.48
    eugenol 41.65
    triacetin 44.73
    span 80 30.13
    1,4-butanediol 10.44
    1,1-dichloroethane 62.69
    2-methyl-1-pentanol 17.36
    methyl formate 61.76
    2-methyl-1-butanol 18.94
    n-decane 0.65
    butyronitrile 24.35
    3,7-dimethyl-1-octanol 8.75
    1-chlorooctane 4.51
    1-chlorotetradecane 2.48
    n-nonane 0.54
    undecane 0.53
    tert-butylcyclohexane 2.04
    cyclooctane 0.5
    cyclopentanol 32.64
    tetrahydropyran 69.78
    tert-amyl methyl ether 26.39
    2,5,8-trioxanonane 108.5
    1-hexene 5.18
    2-isopropoxyethanol 30.0
    2,2,2-trifluoroethanol 33.05
    methyl butyrate 41.26

    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
4-Methyl-7-ethoxycoumarin should not be used as a fragrance ingredient.