4-Methoxycoumarin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20280-81-3

    Molecular formula
    C10H8O3

    SMILES
    COC1=CC(=O)OC2=CC=CC=C21

  • Odor profile

    Sweet 77.06%
    Coumarinic 49.14%
    Vanilla 41.28%
    Powdery 40.67%
    Phenolic 39.94%
    Coconut 38.6%
    Balsamic 38.38%
    Nutty 35.95%
    Hay 35.85%
    Creamy 34.15%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    176.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point est.
    123.67 ˚C

  • Synonyms

    • 4-Methoxycoumarin
    • 20280-81-3
    • 4-methoxy-2H-chromen-2-one
    • 4-methoxychromen-2-one
    • 4-Methoxycoumarine
    • 2H-1-Benzopyran-2-one, 4-methoxy-
    • 4-Methoxycourmarin
    • MFCD00017349
    • 4-Methoxy-2H-1-benzopyran-2-one
    • 4-methoxy coumarin
    • 2H-1-Benzopyran-2-one,4-methoxy-
    • Coumarin, 4-methoxy-
    • Maybridge3_005843
    • MLS004491720
    • CHEMBL452360
    • SCHEMBL1627582
    • 4-Hydroxycoumarin, methyl ether
    • DTXSID20174136
    • HMS1447J13
    • STL371134
    • 2(1H)-Benzopyran-2-one, 4-methoxy
    • AKOS025247530
    • FM66074
    • HY-W067673
    • IDI1_017230
    • CS-15886
    • PD159110
    • SMR003288678
    • 1ST164099
    • DB-045148
    • CS-0063208
    • D73288
    • 2-Methyl-5-phenyl-N-[4-(4-pyridinylmethyl)phenyl]-3-furamide

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.24
    methanol 65.9
    isopropanol 28.97
    water 0.36
    ethyl acetate 63.32
    n-propanol 36.45
    acetone 148.87
    n-butanol 31.96
    acetonitrile 85.46
    DMF 541.43
    toluene 42.04
    isobutanol 27.82
    1,4-dioxane 168.4
    methyl acetate 94.74
    THF 198.4
    2-butanone 94.5
    n-pentanol 28.1
    sec-butanol 24.89
    n-hexane 3.19
    ethylene glycol 33.04
    NMP 213.82
    cyclohexane 7.38
    DMSO 461.03
    n-butyl acetate 50.1
    n-octanol 24.31
    chloroform 157.18
    n-propyl acetate 53.56
    acetic acid 45.08
    dichloromethane 275.59
    cyclohexanone 135.29
    propylene glycol 13.84
    isopropyl acetate 34.02
    DMAc 270.89
    2-ethoxyethanol 73.43
    isopentanol 27.05
    n-heptane 6.26
    ethyl formate 92.01
    1,2-dichloroethane 190.44
    n-hexanol 35.79
    2-methoxyethanol 142.45
    isobutyl acetate 32.61
    tetrachloromethane 21.02
    n-pentyl acetate 36.9
    transcutol 89.25
    n-heptanol 22.55
    ethylbenzene 28.59
    MIBK 41.15
    2-propoxyethanol 80.65
    tert-butanol 38.85
    MTBE 28.69
    2-butoxyethanol 45.22
    propionic acid 40.27
    o-xylene 35.13
    formic acid 24.08
    diethyl ether 40.61
    m-xylene 33.08
    p-xylene 40.46
    chlorobenzene 61.0
    dimethyl carbonate 66.78
    n-octane 4.1
    formamide 74.5
    cyclopentanone 188.74
    2-pentanone 67.16
    anisole 61.93
    cyclopentyl methyl ether 64.41
    gamma-butyrolactone 199.88
    1-methoxy-2-propanol 73.14
    pyridine 129.43
    3-pentanone 63.27
    furfural 189.66
    n-dodecane 4.36
    diethylene glycol 90.76
    diisopropyl ether 11.36
    tert-amyl alcohol 28.97
    acetylacetone 107.09
    n-hexadecane 5.09
    acetophenone 69.79
    methyl propionate 81.47
    isopentyl acetate 40.91
    trichloroethylene 261.23
    n-nonanol 23.83
    cyclohexanol 33.7
    benzyl alcohol 55.61
    2-ethylhexanol 28.34
    isooctanol 19.13
    dipropyl ether 34.77
    1,2-dichlorobenzene 63.08
    ethyl lactate 35.69
    propylene carbonate 94.15
    n-methylformamide 181.26
    2-pentanol 16.62
    n-pentane 2.88
    1-propoxy-2-propanol 46.05
    1-methoxy-2-propyl acetate 57.14
    2-(2-methoxypropoxy) propanol 49.03
    mesitylene 21.18
    ε-caprolactone 96.23
    p-cymene 23.6
    epichlorohydrin 244.1
    1,1,1-trichloroethane 93.95
    2-aminoethanol 32.64
    morpholine-4-carbaldehyde 220.94
    sulfolane 254.79
    2,2,4-trimethylpentane 2.13
    2-methyltetrahydrofuran 90.83
    n-hexyl acetate 47.71
    isooctane 1.8
    2-(2-butoxyethoxy)ethanol 58.31
    sec-butyl acetate 29.57
    tert-butyl acetate 37.1
    decalin 6.2
    glycerin 32.2
    diglyme 131.01
    acrylic acid 44.36
    isopropyl myristate 24.1
    n-butyric acid 44.48
    acetyl acetate 46.55
    di(2-ethylhexyl) phthalate 28.12
    ethyl propionate 53.31
    nitromethane 164.42
    1,2-diethoxyethane 50.56
    benzonitrile 73.52
    trioctyl phosphate 23.02
    1-bromopropane 65.25
    gamma-valerolactone 220.32
    n-decanol 20.21
    triethyl phosphate 32.23
    4-methyl-2-pentanol 12.42
    propionitrile 67.62
    vinylene carbonate 109.53
    1,1,2-trichlorotrifluoroethane 118.48
    DMS 60.25
    cumene 21.44
    2-octanol 17.38
    2-hexanone 58.63
    octyl acetate 31.94
    limonene 29.25
    1,2-dimethoxyethane 200.55
    ethyl orthosilicate 27.52
    tributyl phosphate 26.18
    diacetone alcohol 52.37
    N,N-dimethylaniline 50.36
    acrylonitrile 110.08
    aniline 44.45
    1,3-propanediol 47.84
    bromobenzene 66.13
    dibromomethane 139.88
    1,1,2,2-tetrachloroethane 167.58
    2-methyl-cyclohexyl acetate 41.23
    tetrabutyl urea 43.03
    diisobutyl methanol 17.36
    2-phenylethanol 53.23
    styrene 31.46
    dioctyl adipate 37.24
    dimethyl sulfate 119.87
    ethyl butyrate 48.17
    methyl lactate 44.35
    butyl lactate 31.35
    diethyl carbonate 39.37
    propanediol butyl ether 36.03
    triethyl orthoformate 33.02
    p-tert-butyltoluene 21.18
    methyl 4-tert-butylbenzoate 58.24
    morpholine 137.21
    tert-butylamine 19.99
    n-dodecanol 17.18
    dimethoxymethane 203.92
    ethylene carbonate 88.75
    cyrene 63.8
    2-ethoxyethyl acetate 52.63
    2-ethylhexyl acetate 34.66
    1,2,4-trichlorobenzene 71.18
    4-methylpyridine 108.8
    dibutyl ether 29.42
    2,6-dimethyl-4-heptanol 17.36
    DEF 117.65
    dimethyl isosorbide 93.15
    tetrachloroethylene 109.86
    eugenol 60.27
    triacetin 50.32
    span 80 37.0
    1,4-butanediol 25.29
    1,1-dichloroethane 102.3
    2-methyl-1-pentanol 25.62
    methyl formate 185.54
    2-methyl-1-butanol 26.24
    n-decane 6.1
    butyronitrile 61.72
    3,7-dimethyl-1-octanol 23.74
    1-chlorooctane 23.54
    1-chlorotetradecane 12.52
    n-nonane 5.66
    undecane 5.06
    tert-butylcyclohexane 5.09
    cyclooctane 3.02
    cyclopentanol 45.22
    tetrahydropyran 86.71
    tert-amyl methyl ether 26.25
    2,5,8-trioxanonane 92.77
    1-hexene 13.51
    2-isopropoxyethanol 46.56
    2,2,2-trifluoroethanol 30.07
    methyl butyrate 78.79

    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