8-Acetyl-6,7-dimethoxycoumarin

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  • Identifiers

    CAS number
    263271-48-3

    Molecular formula
    C13H12O5

    SMILES
    CC(=O)C1=C2C(=CC(=C1OC)OC)C=CC(=O)O2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 67.98%
    Vanilla 50.88%
    Fruity 46.82%
    Caramellic 46.8%
    Powdery 43.04%
    Creamy 40.51%
    Floral 38.44%
    Balsamic 34.5%
    Phenolic 33.55%
    Burnt 32.66%

     

    Flavor
    Bitter 52.58%
    Sweet 31.03%
    Woody 25.29%
    Powdery 22.32%
    Heliotropin 21.36%
    Parsley 21.34%
    Spice 21.14%
    Vanilla 20.69%
    Eugenol 20.59%
    Ham 20.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.22 (neutral)

    Molecular weight
    248.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 170.43 ˚C est.

  • Synonyms

    • 8-Acetyl-6,7-dimethoxycoumarin
    • 263271-48-3
    • 8-acetyl-6,7-dimethoxychromen-2-one
    • SCHEMBL18606135
    • DTXSID601355571
    • 8-acetyl-6,7-dimethoxy-2-oxochromene
    • ST50331447
    • 263271-48-3

  • Applications

    8-Acetyl-6,7-dimethoxycoumarin (CAS 263271-48-3) is primarily used as a fragrance ingredient and odorant in perfumery and cosmetic formulations, imparting sweet, vanillic, or herbaceous notes. It is often evaluated as a chemical intermediate in fragrance chemistry and related organic synthesis, serving as a building block for more complex aroma compounds. In household products such as cleaners and air fresheners, it may contribute scent profiles. The compound is also explored in flavor research as a potential flavor precursor or additive. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.72
    methanol 11.71
    isopropanol 5.14
    water 0.04
    ethyl acetate 32.52
    n-propanol 6.34
    acetone 52.28
    n-butanol 5.87
    acetonitrile 32.02
    DMF 156.42
    toluene 9.25
    isobutanol 6.0
    1,4-dioxane 58.9
    methyl acetate 50.43
    THF 107.39
    2-butanone 37.55
    n-pentanol 6.67
    sec-butanol 5.66
    n-hexane 0.58
    ethylene glycol 7.13
    NMP 133.92
    cyclohexane 1.2
    DMSO 151.09
    n-butyl acetate 27.69
    n-octanol 8.14
    chloroform 48.65
    n-propyl acetate 32.37
    acetic acid 22.71
    dichloromethane 97.38
    cyclohexanone 69.25
    propylene glycol 2.83
    isopropyl acetate 16.44
    DMAc 137.37
    2-ethoxyethanol 26.19
    isopentanol 7.11
    n-heptane 0.85
    ethyl formate 37.03
    1,2-dichloroethane 68.86
    n-hexanol 9.33
    2-methoxyethanol 44.16
    isobutyl acetate 18.36
    tetrachloromethane 6.05
    n-pentyl acetate 21.71
    transcutol 26.05
    n-heptanol 7.48
    ethylbenzene 8.9
    MIBK 16.31
    2-propoxyethanol 32.33
    tert-butanol 9.23
    MTBE 7.7
    2-butoxyethanol 21.14
    propionic acid 15.84
    o-xylene 9.67
    formic acid 15.07
    diethyl ether 9.72
    m-xylene 8.01
    p-xylene 14.81
    chlorobenzene 24.0
    dimethyl carbonate 32.5
    n-octane 0.67
    formamide 36.03
    cyclopentanone 103.83
    2-pentanone 24.98
    anisole 21.47
    cyclopentyl methyl ether 28.21
    gamma-butyrolactone 138.15
    1-methoxy-2-propanol 20.74
    pyridine 58.34
    3-pentanone 25.5
    furfural 120.24
    n-dodecane 0.86
    diethylene glycol 36.82
    diisopropyl ether 2.9
    tert-amyl alcohol 8.73
    acetylacetone 51.37
    n-hexadecane 1.03
    acetophenone 35.41
    methyl propionate 38.77
    isopentyl acetate 23.68
    trichloroethylene 118.48
    n-nonanol 8.48
    cyclohexanol 10.85
    benzyl alcohol 21.94
    2-ethylhexanol 9.74
    isooctanol 7.07
    dipropyl ether 9.56
    1,2-dichlorobenzene 27.66
    ethyl lactate 17.73
    propylene carbonate 57.43
    n-methylformamide 57.0
    2-pentanol 3.7
    n-pentane 0.37
    1-propoxy-2-propanol 17.87
    1-methoxy-2-propyl acetate 29.64
    2-(2-methoxypropoxy) propanol 22.9
    mesitylene 5.0
    ε-caprolactone 60.04
    p-cymene 8.65
    epichlorohydrin 140.52
    1,1,1-trichloroethane 35.0
    2-aminoethanol 7.37
    morpholine-4-carbaldehyde 114.51
    sulfolane 145.05
    2,2,4-trimethylpentane 0.44
    2-methyltetrahydrofuran 44.61
    n-hexyl acetate 23.5
    isooctane 0.29
    2-(2-butoxyethoxy)ethanol 23.03
    sec-butyl acetate 16.27
    tert-butyl acetate 18.22
    decalin 1.52
    glycerin 10.55
    diglyme 58.04
    acrylic acid 19.45
    isopropyl myristate 9.72
    n-butyric acid 17.07
    acetyl acetate 23.84
    di(2-ethylhexyl) phthalate 14.54
    ethyl propionate 27.88
    nitromethane 96.0
    1,2-diethoxyethane 17.39
    benzonitrile 35.75
    trioctyl phosphate 10.42
    1-bromopropane 17.3
    gamma-valerolactone 131.0
    n-decanol 6.95
    triethyl phosphate 18.41
    4-methyl-2-pentanol 3.66
    propionitrile 21.57
    vinylene carbonate 59.96
    1,1,2-trichlorotrifluoroethane 73.6
    DMS 35.11
    cumene 7.39
    2-octanol 5.86
    2-hexanone 27.04
    octyl acetate 13.46
    limonene 10.19
    1,2-dimethoxyethane 78.63
    ethyl orthosilicate 15.44
    tributyl phosphate 12.64
    diacetone alcohol 24.39
    N,N-dimethylaniline 18.94
    acrylonitrile 40.98
    aniline 15.57
    1,3-propanediol 11.84
    bromobenzene 22.45
    dibromomethane 46.62
    1,1,2,2-tetrachloroethane 71.74
    2-methyl-cyclohexyl acetate 24.03
    tetrabutyl urea 19.7
    diisobutyl methanol 6.04
    2-phenylethanol 23.53
    styrene 9.12
    dioctyl adipate 16.69
    dimethyl sulfate 70.71
    ethyl butyrate 22.84
    methyl lactate 19.31
    butyl lactate 14.84
    diethyl carbonate 19.94
    propanediol butyl ether 13.08
    triethyl orthoformate 16.74
    p-tert-butyltoluene 6.74
    methyl 4-tert-butylbenzoate 28.85
    morpholine 53.49
    tert-butylamine 4.22
    n-dodecanol 5.56
    dimethoxymethane 70.82
    ethylene carbonate 46.73
    cyrene 39.2
    2-ethoxyethyl acetate 31.57
    2-ethylhexyl acetate 20.86
    1,2,4-trichlorobenzene 33.75
    4-methylpyridine 49.79
    dibutyl ether 9.3
    2,6-dimethyl-4-heptanol 6.04
    DEF 49.95
    dimethyl isosorbide 50.05
    tetrachloroethylene 53.59
    eugenol 29.87
    triacetin 24.95
    span 80 15.39
    1,4-butanediol 6.62
    1,1-dichloroethane 31.59
    2-methyl-1-pentanol 8.33
    methyl formate 69.96
    2-methyl-1-butanol 6.86
    n-decane 1.27
    butyronitrile 18.27
    3,7-dimethyl-1-octanol 8.01
    1-chlorooctane 6.76
    1-chlorotetradecane 3.27
    n-nonane 1.07
    undecane 1.03
    tert-butylcyclohexane 1.11
    cyclooctane 0.47
    cyclopentanol 16.31
    tetrahydropyran 29.44
    tert-amyl methyl ether 8.18
    2,5,8-trioxanonane 39.86
    1-hexene 3.08
    2-isopropoxyethanol 18.5
    2,2,2-trifluoroethanol 20.56
    methyl butyrate 41.63

    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