6,7-Dimethoxy-4-methylcoumarin

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  • Identifiers

    CAS number
    4281-40-7

    Molecular formula
    C12H12O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 62.6%
    Phenolic 48.89%
    Vanilla 47.89%
    Spicy 41.95%
    Powdery 40.54%
    Woody 37.75%
    Creamy 34.4%
    Smoky 34.05%
    Burnt 32.9%
    Balsamic 32.05%

     

    Flavor
    Bitter 58.06%
    Spice 30.91%
    Woody 28.48%
    Sweet 28.47%
    Vanilla 25.4%
    Eugenol 22.71%
    Smoky 22.58%
    Parsley 22.41%
    Tonka 21.74%
    Powdery 21.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.0 (weak acid)

    Molecular weight
    220.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    377°C

    Flash point

    • 152.12 ˚C est.

  • Synonyms

    • 6,7-Dimethoxy-4-methylcoumarin
    • 4-Methyl-6,7-dimethoxycoumarin
    • 2H-1-Benzopyran-2-one, 6,7-dimethoxy-4-methyl-
    • Coumarin, 6,7-dimethoxy-4-methyl-
    • M95TSC752B
    • 6,7-dimethoxy-4-methyl-2H-1-benzopyran-2-one
    • NSC 688797
    • NSC-688797
    • UNII-M95TSC752B
    • DTXSID90195494
    • RefChem:103857
    • DTXCID00117985
    • GBYDSYPGGDKWGZ-UHFFFAOYSA-N
    • 4281-40-7
    • 6,7-Dimethoxy-4-methyl-2H-chromen-2-one
    • 6,7-dimethoxy-4-methylchromen-2-one
    • MFCD00012338
    • NSC688797
    • 6,7-dimethoxy-4-methyl-chromen-2-one
    • 6 pound not7-Dimethoxy-4-methylcoumarin
    • ST038567
    • SCHEMBL606446
    • CHEMBL1991600
    • SCHEMBL16246624
    • SCHEMBL30819091
    • CHEBI:143731
    • HMS1580A12
    • SBB006391
    • STK663354
    • AKOS001025790
    • 6,7-Dimethoxy-4-methylcoumarin, 97%
    • 6,7-Dimethoxy-4-methylcoumarin (NIST)
    • AS-64093
    • NCI60_031995
    • SY051865
    • DB-050972
    • D4390
    • 6,7-Dimethoxy-4-methyl-2H-chromen-2-one #
    • T70910
    • SR-01000535774
    • SR-01000535774-1
    • Q63393113
    • Z56756111
    • 4281-40-7

  • Applications

    6,7-Dimethoxy-4-methylcoumarin (CAS 4281-40-7) is used in perfumery and cosmetics as a fragrance component and cosmetic intermediate, contributing to subtle aromatic notes in formulations. It also serves as a synthetic intermediate in pharmaceutical and other specialty chemicals, and is explored for applications in fluorescence-based analytical reagents and as a dye/colorant precursor for coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.56
    methanol 9.01
    isopropanol 5.7
    water 0.03
    ethyl acetate 23.36
    n-propanol 7.03
    acetone 27.66
    n-butanol 7.08
    acetonitrile 21.4
    DMF 93.45
    toluene 7.3
    isobutanol 6.72
    1,4-dioxane 46.77
    methyl acetate 31.09
    THF 83.93
    2-butanone 23.99
    n-pentanol 7.42
    sec-butanol 5.88
    n-hexane 0.73
    ethylene glycol 4.62
    NMP 74.42
    cyclohexane 1.46
    DMSO 89.72
    n-butyl acetate 24.41
    n-octanol 5.61
    chloroform 68.71
    n-propyl acetate 25.19
    acetic acid 27.99
    dichloromethane 103.17
    cyclohexanone 49.52
    propylene glycol 1.93
    isopropyl acetate 15.52
    DMAc 83.51
    2-ethoxyethanol 24.26
    isopentanol 8.95
    n-heptane 1.13
    ethyl formate 19.68
    1,2-dichloroethane 76.02
    n-hexanol 10.19
    2-methoxyethanol 39.74
    isobutyl acetate 16.1
    tetrachloromethane 8.77
    n-pentyl acetate 15.57
    transcutol 49.88
    n-heptanol 7.0
    ethylbenzene 8.37
    MIBK 15.91
    2-propoxyethanol 31.52
    tert-butanol 14.39
    MTBE 12.14
    2-butoxyethanol 18.94
    propionic acid 13.85
    o-xylene 10.31
    formic acid 13.82
    diethyl ether 12.09
    m-xylene 8.16
    p-xylene 12.76
    chlorobenzene 20.79
    dimethyl carbonate 20.53
    n-octane 0.63
    formamide 32.75
    cyclopentanone 60.88
    2-pentanone 18.15
    anisole 22.95
    cyclopentyl methyl ether 28.08
    gamma-butyrolactone 89.75
    1-methoxy-2-propanol 21.18
    pyridine 40.28
    3-pentanone 20.12
    furfural 87.03
    n-dodecane 0.7
    diethylene glycol 31.7
    diisopropyl ether 4.56
    tert-amyl alcohol 11.68
    acetylacetone 35.81
    n-hexadecane 0.84
    acetophenone 29.73
    methyl propionate 24.79
    isopentyl acetate 24.3
    trichloroethylene 120.76
    n-nonanol 6.36
    cyclohexanol 11.84
    benzyl alcohol 18.44
    2-ethylhexanol 10.16
    isooctanol 6.95
    dipropyl ether 11.94
    1,2-dichlorobenzene 28.4
    ethyl lactate 12.7
    propylene carbonate 39.73
    n-methylformamide 31.57
    2-pentanol 4.68
    n-pentane 0.54
    1-propoxy-2-propanol 18.92
    1-methoxy-2-propyl acetate 27.71
    2-(2-methoxypropoxy) propanol 24.73
    mesitylene 5.87
    ε-caprolactone 44.08
    p-cymene 9.25
    epichlorohydrin 110.56
    1,1,1-trichloroethane 42.84
    2-aminoethanol 6.55
    morpholine-4-carbaldehyde 82.68
    sulfolane 100.45
    2,2,4-trimethylpentane 0.78
    2-methyltetrahydrofuran 42.21
    n-hexyl acetate 17.8
    isooctane 0.52
    2-(2-butoxyethoxy)ethanol 24.91
    sec-butyl acetate 15.5
    tert-butyl acetate 22.37
    decalin 1.86
    glycerin 8.67
    diglyme 63.92
    acrylic acid 16.82
    isopropyl myristate 8.96
    n-butyric acid 18.22
    acetyl acetate 20.03
    di(2-ethylhexyl) phthalate 12.47
    ethyl propionate 22.85
    nitromethane 74.18
    1,2-diethoxyethane 20.72
    benzonitrile 24.1
    trioctyl phosphate 7.98
    1-bromopropane 19.65
    gamma-valerolactone 85.02
    n-decanol 5.29
    triethyl phosphate 18.81
    4-methyl-2-pentanol 4.86
    propionitrile 17.56
    vinylene carbonate 41.64
    1,1,2-trichlorotrifluoroethane 63.31
    DMS 28.19
    cumene 8.0
    2-octanol 4.99
    2-hexanone 21.6
    octyl acetate 10.94
    limonene 11.42
    1,2-dimethoxyethane 66.74
    ethyl orthosilicate 17.5
    tributyl phosphate 10.78
    diacetone alcohol 25.94
    N,N-dimethylaniline 20.33
    acrylonitrile 29.17
    aniline 15.65
    1,3-propanediol 12.08
    bromobenzene 19.88
    dibromomethane 50.87
    1,1,2,2-tetrachloroethane 79.3
    2-methyl-cyclohexyl acetate 24.46
    tetrabutyl urea 15.41
    diisobutyl methanol 7.62
    2-phenylethanol 22.07
    styrene 8.11
    dioctyl adipate 15.43
    dimethyl sulfate 46.02
    ethyl butyrate 21.79
    methyl lactate 12.31
    butyl lactate 11.71
    diethyl carbonate 20.16
    propanediol butyl ether 10.14
    triethyl orthoformate 18.79
    p-tert-butyltoluene 8.32
    methyl 4-tert-butylbenzoate 26.16
    morpholine 45.84
    tert-butylamine 7.52
    n-dodecanol 4.39
    dimethoxymethane 53.31
    ethylene carbonate 32.75
    cyrene 34.03
    2-ethoxyethyl acetate 26.13
    2-ethylhexyl acetate 21.32
    1,2,4-trichlorobenzene 33.8
    4-methylpyridine 34.64
    dibutyl ether 9.32
    2,6-dimethyl-4-heptanol 7.62
    DEF 33.24
    dimethyl isosorbide 54.32
    tetrachloroethylene 62.44
    eugenol 26.79
    triacetin 22.77
    span 80 15.39
    1,4-butanediol 4.93
    1,1-dichloroethane 33.03
    2-methyl-1-pentanol 10.08
    methyl formate 33.86
    2-methyl-1-butanol 7.92
    n-decane 1.07
    butyronitrile 15.01
    3,7-dimethyl-1-octanol 7.66
    1-chlorooctane 5.48
    1-chlorotetradecane 2.74
    n-nonane 0.86
    undecane 0.85
    tert-butylcyclohexane 1.6
    cyclooctane 0.55
    cyclopentanol 14.5
    tetrahydropyran 27.21
    tert-amyl methyl ether 11.95
    2,5,8-trioxanonane 45.55
    1-hexene 3.63
    2-isopropoxyethanol 17.97
    2,2,2-trifluoroethanol 21.22
    methyl butyrate 29.87

    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