7-Hydroxy-6-methylcoumarin

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  • Identifiers

    CAS number
    53811-56-6

    Molecular formula
    C10H8O3

    SMILES
    CC1=CC2=C(C=C1O)OC(=O)C=C2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 62.95%
    Phenolic 60.63%
    Burnt 39.9%
    Vanilla 38.85%
    Coconut 35.49%
    Coumarinic 35.41%
    Caramellic 33.53%
    Creamy 31.35%
    Powdery 30.47%
    Nutty 30.16%

     

    Flavor
    Bitter 72.38%
    Sweet 47.04%
    Tonka 29.97%
    Almond 29.8%
    Phenolic 28.75%
    Creamy 23.42%
    Coconut 23.1%
    Balsam 22.95%
    Vanilla 22.75%
    Medical 22.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.58 (neutral)

    Molecular weight
    176.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    371°C

    Melting point expt.

    • 247 - 248 °C

    Flash point

    • 154.96 ˚C est.

  • Synonyms

    • 7-Hydroxy-6-methylcoumarin
    • 53811-56-6
    • RefChem:1074445
    • 7-Hydroxy-6-methyl-2H-1-benzopyran-2-one
    • 7-hydroxy-6-methylchromen-2-one
    • 7-hydroxy-6-methyl-2H-chromen-2-one
    • 2H-1-Benzopyran-2-one, 7-hydroxy-6-methyl-
    • 6-Methylumbelliferone
    • 6-Methylumbelliferon
    • 6-methyl-7-hydroxycoumarin
    • SCHEMBL4545214
    • DTXSID80419939
    • CHEBI:173811
    • DB-296779
    • AP-383/40724344
    • Q63399125
    • 53811-56-6

  • Applications

    7-Hydroxy-6-methylcoumarin (CAS 53811-56-6) finds use across several industries as a fragrance ingredient and fixative in perfumery and cosmetics; commonly evaluated as an organic intermediate for pharmaceutical and agrochemical synthesis; employed as a dye intermediate for polymers and plastics; valued as a fluorophore or labeling probe for analytical, imaging and sensor applications in electronics and biotechnology; and may serve as a UV-active component in coatings and inks where light stability or optical signaling is relevant.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 50.9
    methanol 64.57
    isopropanol 33.52
    water 0.25
    ethyl acetate 43.2
    n-propanol 32.57
    acetone 131.14
    n-butanol 25.33
    acetonitrile 39.57
    DMF 254.48
    toluene 6.81
    isobutanol 22.82
    1,4-dioxane 86.86
    methyl acetate 73.39
    THF 233.77
    2-butanone 100.82
    n-pentanol 20.08
    sec-butanol 32.9
    n-hexane 0.24
    ethylene glycol 18.54
    NMP 187.11
    cyclohexane 0.16
    DMSO 379.31
    n-butyl acetate 36.74
    n-octanol 8.34
    chloroform 4.65
    n-propyl acetate 36.45
    acetic acid 37.48
    dichloromethane 14.25
    cyclohexanone 55.71
    propylene glycol 16.21
    isopropyl acetate 28.13
    DMAc 230.82
    2-ethoxyethanol 92.31
    isopentanol 30.38
    n-heptane 0.42
    ethyl formate 31.16
    1,2-dichloroethane 23.61
    n-hexanol 20.34
    2-methoxyethanol 159.8
    isobutyl acetate 13.43
    tetrachloromethane 1.49
    n-pentyl acetate 20.65
    transcutol 339.94
    n-heptanol 10.21
    ethylbenzene 6.63
    MIBK 33.48
    2-propoxyethanol 79.3
    tert-butanol 52.36
    MTBE 37.04
    2-butoxyethanol 41.23
    propionic acid 29.68
    o-xylene 8.64
    formic acid 33.05
    diethyl ether 27.47
    m-xylene 6.95
    p-xylene 8.03
    chlorobenzene 9.11
    dimethyl carbonate 32.0
    n-octane 0.16
    formamide 125.51
    cyclopentanone 127.32
    2-pentanone 55.99
    anisole 43.57
    cyclopentyl methyl ether 42.67
    gamma-butyrolactone 147.01
    1-methoxy-2-propanol 102.82
    pyridine 48.51
    3-pentanone 36.45
    furfural 123.82
    n-dodecane 0.18
    diethylene glycol 78.53
    diisopropyl ether 7.15
    tert-amyl alcohol 49.75
    acetylacetone 76.33
    n-hexadecane 0.21
    acetophenone 45.72
    methyl propionate 47.67
    isopentyl acetate 32.67
    trichloroethylene 37.55
    n-nonanol 8.04
    cyclohexanol 13.97
    benzyl alcohol 31.68
    2-ethylhexanol 12.24
    isooctanol 8.71
    dipropyl ether 13.59
    1,2-dichlorobenzene 11.1
    ethyl lactate 23.86
    propylene carbonate 52.89
    n-methylformamide 108.28
    2-pentanol 18.65
    n-pentane 0.19
    1-propoxy-2-propanol 50.35
    1-methoxy-2-propyl acetate 55.62
    2-(2-methoxypropoxy) propanol 58.41
    mesitylene 4.17
    ε-caprolactone 60.1
    p-cymene 6.78
    epichlorohydrin 190.43
    1,1,1-trichloroethane 10.2
    2-aminoethanol 30.42
    morpholine-4-carbaldehyde 168.32
    sulfolane 181.93
    2,2,4-trimethylpentane 0.56
    2-methyltetrahydrofuran 104.32
    n-hexyl acetate 28.55
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 79.02
    sec-butyl acetate 21.66
    tert-butyl acetate 40.83
    decalin 0.57
    glycerin 35.25
    diglyme 170.49
    acrylic acid 28.87
    isopropyl myristate 9.76
    n-butyric acid 28.72
    acetyl acetate 22.18
    di(2-ethylhexyl) phthalate 13.78
    ethyl propionate 30.62
    nitromethane 158.52
    1,2-diethoxyethane 55.71
    benzonitrile 26.12
    trioctyl phosphate 8.94
    1-bromopropane 7.1
    gamma-valerolactone 155.64
    n-decanol 5.76
    triethyl phosphate 16.55
    4-methyl-2-pentanol 12.32
    propionitrile 24.13
    vinylene carbonate 35.95
    1,1,2-trichlorotrifluoroethane 69.59
    DMS 36.83
    cumene 5.99
    2-octanol 6.38
    2-hexanone 41.23
    octyl acetate 13.61
    limonene 7.93
    1,2-dimethoxyethane 156.77
    ethyl orthosilicate 14.37
    tributyl phosphate 12.06
    diacetone alcohol 76.97
    N,N-dimethylaniline 27.89
    acrylonitrile 37.73
    aniline 20.33
    1,3-propanediol 50.39
    bromobenzene 6.32
    dibromomethane 6.2
    1,1,2,2-tetrachloroethane 23.61
    2-methyl-cyclohexyl acetate 22.7
    tetrabutyl urea 18.14
    diisobutyl methanol 8.19
    2-phenylethanol 31.13
    styrene 6.82
    dioctyl adipate 18.93
    dimethyl sulfate 68.33
    ethyl butyrate 24.81
    methyl lactate 34.12
    butyl lactate 23.96
    diethyl carbonate 19.32
    propanediol butyl ether 42.78
    triethyl orthoformate 17.75
    p-tert-butyltoluene 6.23
    methyl 4-tert-butylbenzoate 37.99
    morpholine 109.6
    tert-butylamine 16.41
    n-dodecanol 3.96
    dimethoxymethane 118.23
    ethylene carbonate 27.88
    cyrene 55.15
    2-ethoxyethyl acetate 47.11
    2-ethylhexyl acetate 23.33
    1,2,4-trichlorobenzene 16.98
    4-methylpyridine 50.82
    dibutyl ether 10.33
    2,6-dimethyl-4-heptanol 8.19
    DEF 69.64
    dimethyl isosorbide 99.04
    tetrachloroethylene 14.98
    eugenol 41.38
    triacetin 37.88
    span 80 30.34
    1,4-butanediol 17.44
    1,1-dichloroethane 10.66
    2-methyl-1-pentanol 22.86
    methyl formate 81.47
    2-methyl-1-butanol 29.53
    n-decane 0.3
    butyronitrile 20.74
    3,7-dimethyl-1-octanol 10.94
    1-chlorooctane 2.8
    1-chlorotetradecane 1.06
    n-nonane 0.24
    undecane 0.23
    tert-butylcyclohexane 0.72
    cyclooctane 0.11
    cyclopentanol 25.0
    tetrahydropyran 39.36
    tert-amyl methyl ether 31.14
    2,5,8-trioxanonane 105.16
    1-hexene 2.47
    2-isopropoxyethanol 57.05
    2,2,2-trifluoroethanol 21.97
    methyl butyrate 42.04

    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