7-Ethoxycoumarin

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  • Identifiers

    CAS number
    31005-02-4

    Molecular formula
    C11H10O3

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 77.64%
    Coumarinic 51.11%
    Vanilla 45.72%
    Powdery 42.94%
    Nutty 41.53%
    Phenolic 38.37%
    Hay 37.73%
    Coconut 37.68%
    Balsamic 36.43%
    Creamy 36.09%

     

    Flavor
    Sweet 81.89%
    Bitter 54.83%
    Balsam 51.41%
    Tonka 42.56%
    Vanilla 36.41%
    Creamy 35.09%
    Balsamic 34.97%
    Almond 32.85%
    Powdery 32.12%
    Coconut 31.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.31 (neutral)

    Molecular weight
    190.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point

    • 145.85 ˚C est.

  • Synonyms

    • 7-ETHOXYCOUMARIN
    • 31005-02-4
    • 7-ethoxychromen-2-one
    • Ethylumbelliferone
    • 2H-1-Benzopyran-2-one, 7-ethoxy-
    • 7-ethoxy-2H-1-benzopyran-2-one
    • C8K66XCQ6L
    • DTXSID30184983
    • CHEBI:28184
    • RefChem:546337
    • DTXCID70107474
    • 250-429-4
    • 7-ethoxy-2H-chromen-2-one
    • MFCD00006877
    • 7-Ethoxy-1-benzopyran-2-one
    • Coumarin, 7-ethoxy-
    • CHEMBL191528
    • 7-Ethoxycumarin
    • 7-ethoxy coumarin
    • O-2-Amino-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)]-2-deoxy-D-streptamine Sulfate
    • EINECS 250-429-4
    • UNII-C8K66XCQ6L
    • SCHEMBL119072
    • orb1299338
    • HMS1722P19
    • BDBM50303500
    • EBC-03469
    • MSK164100
    • STK371316
    • AKOS001042905
    • FE22897
    • PS-3457
    • SY050117
    • DB-047948
    • HY-133091
    • CS-0110669
    • E0538
    • NS00029010
    • ST50306946
    • D81908
    • F493717
    • Q27103553
    • Z54853033
    • 31005-02-4

  • Applications

    7-Ethoxycoumarin (CAS 31005-02-4) is a substituted coumarin that is used as an intermediate in organic synthesis and as a fragrance-related ingredient. In perfumery and cosmetics, it may serve as a scent component or precursor for vanilla‑like notes. Its fluorescent properties also support use as a research probe or fluorogenic label in analytical chemistry. In coatings and adhesives, coumarin derivatives are explored as photosensitive units for UV‑curable systems, enabling light‑triggered crosslinking. It can be employed as a chromophore/additive in specialty polymers and electronic materials to tune optical properties. Additionally, it may function as a synthetic building block in pharmaceutical development, provided proper handling and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.74
    methanol 22.15
    isopropanol 9.94
    water 0.06
    ethyl acetate 43.72
    n-propanol 11.93
    acetone 86.94
    n-butanol 12.29
    acetonitrile 45.49
    DMF 283.2
    toluene 22.2
    isobutanol 10.64
    1,4-dioxane 128.94
    methyl acetate 66.3
    THF 182.22
    2-butanone 58.2
    n-pentanol 10.45
    sec-butanol 9.05
    n-hexane 0.64
    ethylene glycol 11.23
    NMP 268.97
    cyclohexane 0.97
    DMSO 404.77
    n-butyl acetate 37.33
    n-octanol 4.47
    chloroform 96.12
    n-propyl acetate 34.86
    acetic acid 58.24
    dichloromethane 168.59
    cyclohexanone 91.72
    propylene glycol 7.18
    isopropyl acetate 28.08
    DMAc 289.84
    2-ethoxyethanol 46.34
    isopentanol 16.1
    n-heptane 0.73
    ethyl formate 25.88
    1,2-dichloroethane 140.78
    n-hexanol 9.25
    2-methoxyethanol 90.53
    isobutyl acetate 23.36
    tetrachloromethane 5.03
    n-pentyl acetate 16.51
    transcutol 358.64
    n-heptanol 5.03
    ethylbenzene 11.88
    MIBK 29.08
    2-propoxyethanol 47.26
    tert-butanol 22.18
    MTBE 27.07
    2-butoxyethanol 22.09
    propionic acid 28.65
    o-xylene 16.29
    formic acid 25.03
    diethyl ether 25.6
    m-xylene 15.03
    p-xylene 17.75
    chlorobenzene 42.78
    dimethyl carbonate 46.17
    n-octane 0.34
    formamide 65.84
    cyclopentanone 150.43
    2-pentanone 39.61
    anisole 51.67
    cyclopentyl methyl ether 55.32
    gamma-butyrolactone 183.99
    1-methoxy-2-propanol 51.39
    pyridine 101.88
    3-pentanone 38.57
    furfural 170.06
    n-dodecane 0.52
    diethylene glycol 55.08
    diisopropyl ether 7.9
    tert-amyl alcohol 17.49
    acetylacetone 88.55
    n-hexadecane 0.63
    acetophenone 50.6
    methyl propionate 49.21
    isopentyl acetate 38.43
    trichloroethylene 246.08
    n-nonanol 4.99
    cyclohexanol 16.58
    benzyl alcohol 33.65
    2-ethylhexanol 10.0
    isooctanol 5.6
    dipropyl ether 16.58
    1,2-dichlorobenzene 42.79
    ethyl lactate 19.73
    propylene carbonate 69.63
    n-methylformamide 69.15
    2-pentanol 7.3
    n-pentane 0.45
    1-propoxy-2-propanol 30.51
    1-methoxy-2-propyl acetate 57.31
    2-(2-methoxypropoxy) propanol 53.4
    mesitylene 8.88
    ε-caprolactone 77.07
    p-cymene 10.29
    epichlorohydrin 243.43
    1,1,1-trichloroethane 51.12
    2-aminoethanol 15.23
    morpholine-4-carbaldehyde 251.04
    sulfolane 241.06
    2,2,4-trimethylpentane 1.06
    2-methyltetrahydrofuran 85.59
    n-hexyl acetate 22.76
    isooctane 0.74
    2-(2-butoxyethoxy)ethanol 59.27
    sec-butyl acetate 24.58
    tert-butyl acetate 40.77
    decalin 2.04
    glycerin 26.51
    diglyme 151.54
    acrylic acid 39.42
    isopropyl myristate 12.09
    n-butyric acid 29.92
    acetyl acetate 44.01
    di(2-ethylhexyl) phthalate 17.57
    ethyl propionate 34.02
    nitromethane 185.68
    1,2-diethoxyethane 64.75
    benzonitrile 43.27
    trioctyl phosphate 9.17
    1-bromopropane 27.5
    gamma-valerolactone 204.52
    n-decanol 4.26
    triethyl phosphate 25.75
    4-methyl-2-pentanol 7.29
    propionitrile 27.15
    vinylene carbonate 68.73
    1,1,2-trichlorotrifluoroethane 107.99
    DMS 57.39
    cumene 9.69
    2-octanol 3.4
    2-hexanone 33.18
    octyl acetate 13.78
    limonene 13.93
    1,2-dimethoxyethane 124.63
    ethyl orthosilicate 22.82
    tributyl phosphate 16.29
    diacetone alcohol 48.66
    N,N-dimethylaniline 34.68
    acrylonitrile 51.87
    aniline 37.87
    1,3-propanediol 25.23
    bromobenzene 41.5
    dibromomethane 72.45
    1,1,2,2-tetrachloroethane 147.99
    2-methyl-cyclohexyl acetate 32.19
    tetrabutyl urea 22.68
    diisobutyl methanol 8.7
    2-phenylethanol 29.29
    styrene 17.09
    dioctyl adipate 25.22
    dimethyl sulfate 107.61
    ethyl butyrate 32.43
    methyl lactate 29.2
    butyl lactate 17.18
    diethyl carbonate 30.12
    propanediol butyl ether 20.09
    triethyl orthoformate 27.55
    p-tert-butyltoluene 9.86
    methyl 4-tert-butylbenzoate 37.93
    morpholine 131.47
    tert-butylamine 10.84
    n-dodecanol 3.73
    dimethoxymethane 124.81
    ethylene carbonate 52.94
    cyrene 52.59
    2-ethoxyethyl acetate 43.85
    2-ethylhexyl acetate 31.23
    1,2,4-trichlorobenzene 58.95
    4-methylpyridine 92.44
    dibutyl ether 13.14
    2,6-dimethyl-4-heptanol 8.7
    DEF 76.0
    dimethyl isosorbide 102.39
    tetrachloroethylene 71.59
    eugenol 37.86
    triacetin 46.19
    span 80 27.9
    1,4-butanediol 9.09
    1,1-dichloroethane 55.29
    2-methyl-1-pentanol 14.84
    methyl formate 58.83
    2-methyl-1-butanol 14.31
    n-decane 0.68
    butyronitrile 22.19
    3,7-dimethyl-1-octanol 8.16
    1-chlorooctane 4.18
    1-chlorotetradecane 2.58
    n-nonane 0.54
    undecane 0.59
    tert-butylcyclohexane 1.85
    cyclooctane 0.4
    cyclopentanol 21.9
    tetrahydropyran 59.77
    tert-amyl methyl ether 23.32
    2,5,8-trioxanonane 110.56
    1-hexene 4.43
    2-isopropoxyethanol 30.47
    2,2,2-trifluoroethanol 26.85
    methyl butyrate 42.13

    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