4-Ethoxycoumarin

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  • Identifiers

    CAS number
    35817-27-7

    Molecular formula
    C11H10O3

    SMILES
    CCOC1=CC(=O)OC2=CC=CC=C21

    Safety labels

  • Odor profile

    Fragrance
    Sweet 72.02%
    Coumarinic 46.48%
    Vanilla 39.9%
    Powdery 39.76%
    Balsamic 36.04%
    Coconut 35.38%
    Phenolic 35.28%
    Nutty 35.0%
    Hay 33.11%
    Creamy 32.78%

     

    Flavor
    Sweet 73.97%
    Bitter 57.6%
    Balsam 50.48%
    Tonka 38.4%
    Balsamic 32.67%
    Floral 31.68%
    Vanilla 31.06%
    Anise 30.27%
    Creamy 29.86%
    Almond 28.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.51 (weak acid)

    Molecular weight
    190.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 137.52 ˚C est.

  • Synonyms

    • 4-Ethoxycoumarin
    • 35817-27-7
    • 4-ethoxychromen-2-one
    • DTXSID50350961
    • RefChem:98844
    • DTXCID70302028
    • FLZDKBHAUILYAZ-UHFFFAOYSA-N
    • 4-ethoxy-2h-chromen-2-one
    • 4-Ethoxy coumarin
    • MFCD00052755
    • 4-Ethoxy-chromen-2-one
    • 4-Ethoxy-2H-1-benzopyran-2-one
    • Maybridge1_007528
    • 4-Ethoxycoumarin, 97%
    • orb1311056
    • SCHEMBL15842782
    • HMS562O04
    • CCG-34538
    • SBB091115
    • AKOS015838834
    • AS-56773
    • FE138053
    • PD159113
    • SY050798
    • DB-048873
    • HY-138548
    • CS-0149196
    • E0545
    • ST50308868
    • D90538
    • F842667
    • 35817-27-7

  • Applications

    4-Ethoxycoumarin (CAS 35817-27-7) is a coumarin derivative that may be used as a chemical intermediate and building block for the synthesis of other coumarin derivatives in industrial settings. Real-world applications include functioning as a fragrance ingredient in perfumery and personal care products, serving as a precursor for more complex organic compounds in chemical and pharmaceutical manufacturing, and acting as an intermediate or functional additive in polymer/plastics formulations and coatings/inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 63.35
    methanol 98.14
    isopropanol 31.6
    water 0.14
    ethyl acetate 78.51
    n-propanol 43.39
    acetone 216.04
    n-butanol 36.69
    acetonitrile 77.95
    DMF 614.73
    toluene 55.45
    isobutanol 30.97
    1,4-dioxane 209.67
    methyl acetate 119.97
    THF 325.82
    2-butanone 110.36
    n-pentanol 30.19
    sec-butanol 26.35
    n-hexane 3.15
    ethylene glycol 28.25
    NMP 394.27
    cyclohexane 10.1
    DMSO 535.82
    n-butyl acetate 61.97
    n-octanol 23.79
    chloroform 248.74
    n-propyl acetate 61.34
    acetic acid 89.67
    dichloromethane 406.92
    cyclohexanone 203.55
    propylene glycol 17.83
    isopropyl acetate 41.82
    DMAc 319.71
    2-ethoxyethanol 65.44
    isopentanol 31.55
    n-heptane 4.6
    ethyl formate 90.88
    1,2-dichloroethane 278.75
    n-hexanol 35.68
    2-methoxyethanol 153.5
    isobutyl acetate 42.93
    tetrachloromethane 19.45
    n-pentyl acetate 43.1
    transcutol 144.34
    n-heptanol 20.71
    ethylbenzene 31.33
    MIBK 46.08
    2-propoxyethanol 81.82
    tert-butanol 38.33
    MTBE 35.28
    2-butoxyethanol 44.93
    propionic acid 62.01
    o-xylene 36.37
    formic acid 31.22
    diethyl ether 49.03
    m-xylene 35.46
    p-xylene 43.84
    chlorobenzene 95.06
    dimethyl carbonate 76.37
    n-octane 2.81
    formamide 71.75
    cyclopentanone 300.93
    2-pentanone 78.91
    anisole 70.24
    cyclopentyl methyl ether 91.99
    gamma-butyrolactone 313.05
    1-methoxy-2-propanol 75.51
    pyridine 198.95
    3-pentanone 75.31
    furfural 270.8
    n-dodecane 3.78
    diethylene glycol 81.18
    diisopropyl ether 12.77
    tert-amyl alcohol 30.07
    acetylacetone 134.7
    n-hexadecane 4.42
    acetophenone 77.59
    methyl propionate 99.38
    isopentyl acetate 52.86
    trichloroethylene 443.66
    n-nonanol 22.83
    cyclohexanol 48.14
    benzyl alcohol 64.23
    2-ethylhexanol 29.0
    isooctanol 18.19
    dipropyl ether 36.19
    1,2-dichlorobenzene 85.39
    ethyl lactate 36.8
    propylene carbonate 145.94
    n-methylformamide 177.87
    2-pentanol 18.39
    n-pentane 2.8
    1-propoxy-2-propanol 48.87
    1-methoxy-2-propyl acetate 66.25
    2-(2-methoxypropoxy) propanol 59.33
    mesitylene 21.0
    ε-caprolactone 148.27
    p-cymene 22.56
    epichlorohydrin 361.0
    1,1,1-trichloroethane 114.48
    2-aminoethanol 35.76
    morpholine-4-carbaldehyde 284.0
    sulfolane 369.58
    2,2,4-trimethylpentane 2.5
    2-methyltetrahydrofuran 140.53
    n-hexyl acetate 60.23
    isooctane 1.9
    2-(2-butoxyethoxy)ethanol 69.77
    sec-butyl acetate 36.94
    tert-butyl acetate 46.57
    decalin 7.04
    glycerin 40.56
    diglyme 149.64
    acrylic acid 73.07
    isopropyl myristate 27.94
    n-butyric acid 66.34
    acetyl acetate 65.25
    di(2-ethylhexyl) phthalate 34.21
    ethyl propionate 57.9
    nitromethane 214.3
    1,2-diethoxyethane 62.41
    benzonitrile 86.57
    trioctyl phosphate 24.74
    1-bromopropane 77.08
    gamma-valerolactone 306.32
    n-decanol 19.07
    triethyl phosphate 36.66
    4-methyl-2-pentanol 13.28
    propionitrile 59.79
    vinylene carbonate 160.08
    1,1,2-trichlorotrifluoroethane 146.22
    DMS 85.93
    cumene 22.29
    2-octanol 15.53
    2-hexanone 62.41
    octyl acetate 36.41
    limonene 31.35
    1,2-dimethoxyethane 181.68
    ethyl orthosilicate 32.12
    tributyl phosphate 31.88
    diacetone alcohol 60.56
    N,N-dimethylaniline 51.85
    acrylonitrile 105.15
    aniline 66.53
    1,3-propanediol 53.06
    bromobenzene 103.97
    dibromomethane 201.48
    1,1,2,2-tetrachloroethane 256.0
    2-methyl-cyclohexyl acetate 51.73
    tetrabutyl urea 48.2
    diisobutyl methanol 17.67
    2-phenylethanol 57.19
    styrene 39.76
    dioctyl adipate 45.89
    dimethyl sulfate 144.06
    ethyl butyrate 55.91
    methyl lactate 50.24
    butyl lactate 33.81
    diethyl carbonate 47.69
    propanediol butyl ether 40.87
    triethyl orthoformate 39.51
    p-tert-butyltoluene 19.96
    methyl 4-tert-butylbenzoate 63.01
    morpholine 186.56
    tert-butylamine 20.27
    n-dodecanol 16.45
    dimethoxymethane 227.52
    ethylene carbonate 124.73
    cyrene 77.11
    2-ethoxyethyl acetate 65.39
    2-ethylhexyl acetate 44.02
    1,2,4-trichlorobenzene 99.48
    4-methylpyridine 153.96
    dibutyl ether 32.74
    2,6-dimethyl-4-heptanol 17.67
    DEF 131.26
    dimethyl isosorbide 109.68
    tetrachloroethylene 153.79
    eugenol 66.29
    triacetin 63.06
    span 80 45.66
    1,4-butanediol 22.83
    1,1-dichloroethane 137.12
    2-methyl-1-pentanol 30.71
    methyl formate 187.88
    2-methyl-1-butanol 30.63
    n-decane 5.03
    butyronitrile 59.25
    3,7-dimethyl-1-octanol 24.08
    1-chlorooctane 21.98
    1-chlorotetradecane 12.18
    n-nonane 4.42
    undecane 4.31
    tert-butylcyclohexane 5.41
    cyclooctane 3.05
    cyclopentanol 66.33
    tetrahydropyran 137.21
    tert-amyl methyl ether 30.9
    2,5,8-trioxanonane 115.09
    1-hexene 15.67
    2-isopropoxyethanol 43.49
    2,2,2-trifluoroethanol 39.32
    methyl butyrate 84.85

    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