7-Hydroxy-8-methoxycoumarin

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  • Identifiers

    CAS number
    485-90-5

    Molecular formula
    C10H8O4

    SMILES
    COC1=C(C=CC2=C1OC(=O)C=C2)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 60.04%
    Phenolic 53.61%
    Vanilla 52.95%
    Caramellic 42.99%
    Burnt 41.83%
    Creamy 37.78%
    Balsamic 34.71%
    Spicy 33.65%
    Powdery 32.29%
    Fruity 32.21%

     

    Flavor
    Bitter 62.72%
    Sweet 61.95%
    Vanilla 34.71%
    Creamy 32.34%
    Tonka 30.83%
    Woody 29.28%
    Powdery 27.13%
    Balsamic 26.83%
    Caramel 26.51%
    Coconut 25.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.63 (neutral)

    Molecular weight
    192.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    366°C

    Flash point

    • 162.35 ˚C est.

  • Synonyms

    • Hydrangetin
    • 7-Hydroxy-8-methoxycoumarin
    • 7-hydroxy-8-methoxychromen-2-one
    • 2H-1-Benzopyran-2-one, 7-hydroxy-8-methoxy-
    • DTXSID40197544
    • RefChem:106185
    • DTXCID00120035
    • 485-90-5
    • 7-hydroxy-8-methoxy-2H-chromen-2-one
    • CHEMBL2331585
    • starbld0000850
    • Daphnetin-8-methyl ether
    • 7-Hydroxy-8-methoxy-2H-1-benzopyran-2-one
    • orb1682403
    • orb3032906
    • SCHEMBL11434277
    • SCHEMBL30599780
    • CHEBI:180544
    • HY-N8706
    • BDBM50428438
    • AKOS022643882
    • HS-6310
    • DA-74333
    • XD163676
    • CS-0148952
    • 485-90-5

  • Applications

    7-Hydroxy-8-methoxycoumarin (CAS 485-90-5) is a coumarin derivative commonly used as a fragrance ingredient in perfumery and cosmetics, contributing aroma notes in perfumes and personal care products. In the food sector, it may be used as a flavor precursor or reference ingredient in certain flavor formulations. Because the coumarin ring can exhibit fluorescence, the compound is often used as a fluorescent dye or reference material in research and development of optical materials and sensors. In pharmaceutical synthesis and organic chemistry, it commonly serves as an intermediate for synthesizing pharmacologically active compounds or other organic intermediates. Use and handling are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.87
    methanol 27.42
    isopropanol 11.89
    water 0.26
    ethyl acetate 14.74
    n-propanol 13.25
    acetone 54.11
    n-butanol 9.63
    acetonitrile 19.84
    DMF 227.51
    toluene 5.19
    isobutanol 9.04
    1,4-dioxane 53.72
    methyl acetate 23.14
    THF 82.57
    2-butanone 28.19
    n-pentanol 11.64
    sec-butanol 8.61
    n-hexane 0.55
    ethylene glycol 16.54
    NMP 120.62
    cyclohexane 0.94
    DMSO 271.3
    n-butyl acetate 17.0
    n-octanol 15.1
    chloroform 9.16
    n-propyl acetate 16.94
    acetic acid 27.41
    dichloromethane 35.75
    cyclohexanone 42.32
    propylene glycol 5.75
    isopropyl acetate 10.14
    DMAc 118.23
    2-ethoxyethanol 42.13
    isopentanol 10.07
    n-heptane 2.37
    ethyl formate 24.53
    1,2-dichloroethane 34.0
    n-hexanol 12.85
    2-methoxyethanol 69.28
    isobutyl acetate 8.72
    tetrachloromethane 1.56
    n-pentyl acetate 19.98
    transcutol 72.32
    n-heptanol 13.74
    ethylbenzene 5.37
    MIBK 12.16
    2-propoxyethanol 36.59
    tert-butanol 18.62
    MTBE 9.33
    2-butoxyethanol 30.49
    propionic acid 14.55
    o-xylene 6.92
    formic acid 24.52
    diethyl ether 10.73
    m-xylene 6.26
    p-xylene 8.17
    chlorobenzene 9.25
    dimethyl carbonate 20.54
    n-octane 1.44
    formamide 71.51
    cyclopentanone 68.86
    2-pentanone 18.63
    anisole 15.99
    cyclopentyl methyl ether 20.46
    gamma-butyrolactone 85.48
    1-methoxy-2-propanol 34.39
    pyridine 38.34
    3-pentanone 15.69
    furfural 82.34
    n-dodecane 1.56
    diethylene glycol 44.06
    diisopropyl ether 3.58
    tert-amyl alcohol 12.15
    acetylacetone 34.4
    n-hexadecane 1.81
    acetophenone 24.28
    methyl propionate 21.12
    isopentyl acetate 14.58
    trichloroethylene 39.32
    n-nonanol 14.83
    cyclohexanol 10.34
    benzyl alcohol 19.59
    2-ethylhexanol 10.96
    isooctanol 11.64
    dipropyl ether 13.95
    1,2-dichlorobenzene 13.14
    ethyl lactate 13.91
    propylene carbonate 31.47
    n-methylformamide 83.72
    2-pentanol 5.88
    n-pentane 0.63
    1-propoxy-2-propanol 23.79
    1-methoxy-2-propyl acetate 22.06
    2-(2-methoxypropoxy) propanol 31.09
    mesitylene 4.53
    ε-caprolactone 35.61
    p-cymene 7.99
    epichlorohydrin 92.57
    1,1,1-trichloroethane 8.55
    2-aminoethanol 14.63
    morpholine-4-carbaldehyde 109.46
    sulfolane 137.85
    2,2,4-trimethylpentane 0.59
    2-methyltetrahydrofuran 32.13
    n-hexyl acetate 24.97
    isooctane 0.48
    2-(2-butoxyethoxy)ethanol 41.93
    sec-butyl acetate 8.32
    tert-butyl acetate 13.15
    decalin 1.12
    glycerin 18.57
    diglyme 88.7
    acrylic acid 18.49
    isopropyl myristate 11.36
    n-butyric acid 13.86
    acetyl acetate 11.21
    di(2-ethylhexyl) phthalate 13.72
    ethyl propionate 14.07
    nitromethane 85.88
    1,2-diethoxyethane 26.95
    benzonitrile 22.71
    trioctyl phosphate 11.38
    1-bromopropane 8.57
    gamma-valerolactone 100.33
    n-decanol 12.15
    triethyl phosphate 11.94
    4-methyl-2-pentanol 4.74
    propionitrile 16.34
    vinylene carbonate 32.26
    1,1,2-trichlorotrifluoroethane 50.76
    DMS 20.9
    cumene 5.22
    2-octanol 10.24
    2-hexanone 18.65
    octyl acetate 16.22
    limonene 9.86
    1,2-dimethoxyethane 91.05
    ethyl orthosilicate 10.85
    tributyl phosphate 11.62
    diacetone alcohol 25.8
    N,N-dimethylaniline 17.29
    acrylonitrile 30.91
    aniline 11.64
    1,3-propanediol 21.03
    bromobenzene 7.98
    dibromomethane 15.37
    1,1,2,2-tetrachloroethane 25.75
    2-methyl-cyclohexyl acetate 16.24
    tetrabutyl urea 20.6
    diisobutyl methanol 7.54
    2-phenylethanol 19.63
    styrene 5.11
    dioctyl adipate 19.22
    dimethyl sulfate 47.01
    ethyl butyrate 15.01
    methyl lactate 18.16
    butyl lactate 16.63
    diethyl carbonate 11.51
    propanediol butyl ether 25.25
    triethyl orthoformate 12.96
    p-tert-butyltoluene 7.26
    methyl 4-tert-butylbenzoate 32.22
    morpholine 53.76
    tert-butylamine 8.86
    n-dodecanol 9.64
    dimethoxymethane 78.95
    ethylene carbonate 24.13
    cyrene 40.53
    2-ethoxyethyl acetate 28.77
    2-ethylhexyl acetate 11.94
    1,2,4-trichlorobenzene 16.43
    4-methylpyridine 28.33
    dibutyl ether 13.73
    2,6-dimethyl-4-heptanol 7.54
    DEF 39.08
    dimethyl isosorbide 59.1
    tetrachloroethylene 17.18
    eugenol 31.86
    triacetin 28.12
    span 80 23.16
    1,4-butanediol 12.13
    1,1-dichloroethane 10.93
    2-methyl-1-pentanol 10.24
    methyl formate 76.98
    2-methyl-1-butanol 8.57
    n-decane 2.46
    butyronitrile 14.08
    3,7-dimethyl-1-octanol 12.21
    1-chlorooctane 8.65
    1-chlorotetradecane 4.19
    n-nonane 2.12
    undecane 1.92
    tert-butylcyclohexane 0.99
    cyclooctane 0.52
    cyclopentanol 15.78
    tetrahydropyran 23.56
    tert-amyl methyl ether 8.75
    2,5,8-trioxanonane 61.94
    1-hexene 2.69
    2-isopropoxyethanol 25.1
    2,2,2-trifluoroethanol 15.69
    methyl butyrate 20.8

    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