4-Hydroxy-6-methylcoumarin

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  • Identifiers

    CAS number
    13252-83-0

    Molecular formula
    C10H8O3

    SMILES
    CC1=CC2=C(C=C1)OC(=O)C=C2O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 50.41%
    Sweet 45.08%
    Coconut 35.85%
    Coumarinic 35.05%
    Animal 33.64%
    Odorless 31.63%
    Powdery 31.01%
    Creamy 29.0%
    Burnt 28.23%
    Vanilla 27.88%

     

    Flavor
    Bitter 74.26%
    Sweet 30.98%
    Phenolic 28.82%
    Tonka 26.08%
    Almond 22.39%
    Medical 21.5%
    Curry 21.3%
    Flat 21.21%
    Very strong 21.17%
    Almond shell 21.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.9 (neutral)

    Molecular weight
    176.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    332°C

    Flash point

    • 140.6 ˚C est.

  • Synonyms

    • 4-Hydroxy-6-methylcoumarin
    • 4-hydroxy-6-methylchromen-2-one
    • RefChem:523912
    • 624-759-8
    • 13252-83-0
    • 4-hydroxy-6-methyl-2H-chromen-2-one
    • 2H-1-Benzopyran-2-one, 4-hydroxy-6-methyl-
    • MFCD00085738
    • 6-methyl-4-hydroxycoumarin
    • 4-Hydroxy-6-methyl-2H-1-benzopyran-2-one
    • 4-Hydroxy-6-methyl coumarin
    • 4-hydroxy-6-methyl-chromen-2-one
    • 2H-1-Benzopyran-2-one,4-hydroxy-6-methyl-
    • QX4
    • orb1311061
    • SCHEMBL2490464
    • SCHEMBL8773390
    • CHEMBL1631885
    • SCHEMBL31290722
    • DTXSID40715782
    • 4-Hydroxy-6-methylcoumarin, 98%
    • ALBB-007066
    • AC1959
    • SBB048556
    • STK500281
    • AKOS004911131
    • FM12567
    • NS-01469
    • PD211463
    • SY050960
    • DB-042117
    • CS-0149177
    • H1421
    • NS00116894
    • ST50331505
    • EN300-372535
    • AF-399/13375268
    • F366970
    • F0456-0311
    • InChI=1/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H
    • 13252-83-0

  • Applications

    4-Hydroxy-6-methylcoumarin (CAS 13252-83-0) is primarily used as a fragrance component and fragrance intermediate in perfumery and personal care products; it also serves as a synthetic building block for coumarin derivatives used in pharmaceutical and other specialty chemical syntheses; in the polymer and coatings/inks sectors, it acts as a precursor to color and optical-functioning compounds; additionally, it is studied as a fluorescent or optically active intermediate for electronic, sensing, and photonic applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.88
    methanol 58.18
    isopropanol 32.18
    water 0.16
    ethyl acetate 43.18
    n-propanol 35.04
    acetone 140.41
    n-butanol 32.67
    acetonitrile 44.31
    DMF 255.07
    toluene 10.64
    isobutanol 26.0
    1,4-dioxane 72.31
    methyl acetate 61.58
    THF 319.16
    2-butanone 102.23
    n-pentanol 23.29
    sec-butanol 32.44
    n-hexane 1.0
    ethylene glycol 21.14
    NMP 158.81
    cyclohexane 0.49
    DMSO 506.51
    n-butyl acetate 40.25
    n-octanol 17.53
    chloroform 18.4
    n-propyl acetate 33.83
    acetic acid 28.04
    dichloromethane 30.52
    cyclohexanone 67.31
    propylene glycol 19.78
    isopropyl acetate 26.36
    DMAc 186.48
    2-ethoxyethanol 67.45
    isopentanol 31.94
    n-heptane 1.24
    ethyl formate 35.7
    1,2-dichloroethane 37.98
    n-hexanol 29.0
    2-methoxyethanol 143.71
    isobutyl acetate 17.36
    tetrachloromethane 4.07
    n-pentyl acetate 25.68
    transcutol 171.65
    n-heptanol 17.22
    ethylbenzene 10.15
    MIBK 40.03
    2-propoxyethanol 89.29
    tert-butanol 45.81
    MTBE 32.31
    2-butoxyethanol 46.91
    propionic acid 28.12
    o-xylene 9.45
    formic acid 23.03
    diethyl ether 32.48
    m-xylene 10.11
    p-xylene 11.2
    chlorobenzene 14.69
    dimethyl carbonate 36.49
    n-octane 0.55
    formamide 57.84
    cyclopentanone 157.1
    2-pentanone 71.37
    anisole 39.4
    cyclopentyl methyl ether 59.86
    gamma-butyrolactone 141.83
    1-methoxy-2-propanol 102.6
    pyridine 47.22
    3-pentanone 44.34
    furfural 99.34
    n-dodecane 0.55
    diethylene glycol 77.74
    diisopropyl ether 8.57
    tert-amyl alcohol 41.8
    acetylacetone 78.55
    n-hexadecane 0.65
    acetophenone 37.46
    methyl propionate 49.55
    isopentyl acetate 34.83
    trichloroethylene 60.59
    n-nonanol 15.07
    cyclohexanol 19.21
    benzyl alcohol 27.31
    2-ethylhexanol 17.87
    isooctanol 13.14
    dipropyl ether 19.15
    1,2-dichlorobenzene 16.0
    ethyl lactate 25.66
    propylene carbonate 51.17
    n-methylformamide 93.96
    2-pentanol 21.17
    n-pentane 0.65
    1-propoxy-2-propanol 59.5
    1-methoxy-2-propyl acetate 52.58
    2-(2-methoxypropoxy) propanol 53.93
    mesitylene 6.22
    ε-caprolactone 55.96
    p-cymene 9.2
    epichlorohydrin 174.94
    1,1,1-trichloroethane 22.8
    2-aminoethanol 32.23
    morpholine-4-carbaldehyde 116.3
    sulfolane 209.62
    2,2,4-trimethylpentane 1.03
    2-methyltetrahydrofuran 106.65
    n-hexyl acetate 38.65
    isooctane 0.82
    2-(2-butoxyethoxy)ethanol 67.72
    sec-butyl acetate 20.25
    tert-butyl acetate 35.08
    decalin 1.25
    glycerin 38.21
    diglyme 125.92
    acrylic acid 25.36
    isopropyl myristate 13.21
    n-butyric acid 33.06
    acetyl acetate 20.98
    di(2-ethylhexyl) phthalate 14.87
    ethyl propionate 33.33
    nitromethane 109.37
    1,2-diethoxyethane 41.94
    benzonitrile 27.18
    trioctyl phosphate 12.3
    1-bromopropane 16.66
    gamma-valerolactone 140.18
    n-decanol 10.78
    triethyl phosphate 17.3
    4-methyl-2-pentanol 14.72
    propionitrile 31.68
    vinylene carbonate 34.98
    1,1,2-trichlorotrifluoroethane 72.71
    DMS 35.02
    cumene 8.51
    2-octanol 12.21
    2-hexanone 46.96
    octyl acetate 18.54
    limonene 11.2
    1,2-dimethoxyethane 124.35
    ethyl orthosilicate 15.09
    tributyl phosphate 14.75
    diacetone alcohol 70.66
    N,N-dimethylaniline 27.3
    acrylonitrile 44.9
    aniline 20.16
    1,3-propanediol 52.08
    bromobenzene 12.37
    dibromomethane 17.33
    1,1,2,2-tetrachloroethane 41.24
    2-methyl-cyclohexyl acetate 23.37
    tetrabutyl urea 22.34
    diisobutyl methanol 10.9
    2-phenylethanol 34.1
    styrene 9.8
    dioctyl adipate 19.24
    dimethyl sulfate 77.96
    ethyl butyrate 25.81
    methyl lactate 38.48
    butyl lactate 27.33
    diethyl carbonate 18.41
    propanediol butyl ether 50.57
    triethyl orthoformate 18.73
    p-tert-butyltoluene 8.72
    methyl 4-tert-butylbenzoate 36.4
    morpholine 92.17
    tert-butylamine 18.27
    n-dodecanol 7.35
    dimethoxymethane 130.48
    ethylene carbonate 28.69
    cyrene 49.12
    2-ethoxyethyl acetate 39.96
    2-ethylhexyl acetate 26.09
    1,2,4-trichlorobenzene 21.7
    4-methylpyridine 49.34
    dibutyl ether 16.76
    2,6-dimethyl-4-heptanol 10.9
    DEF 63.89
    dimethyl isosorbide 88.0
    tetrachloroethylene 24.0
    eugenol 41.26
    triacetin 28.66
    span 80 32.25
    1,4-butanediol 18.31
    1,1-dichloroethane 24.08
    2-methyl-1-pentanol 23.42
    methyl formate 75.0
    2-methyl-1-butanol 29.95
    n-decane 0.97
    butyronitrile 33.5
    3,7-dimethyl-1-octanol 17.48
    1-chlorooctane 7.32
    1-chlorotetradecane 2.46
    n-nonane 0.89
    undecane 0.72
    tert-butylcyclohexane 1.47
    cyclooctane 0.31
    cyclopentanol 34.59
    tetrahydropyran 51.32
    tert-amyl methyl ether 29.55
    2,5,8-trioxanonane 78.26
    1-hexene 6.39
    2-isopropoxyethanol 42.86
    2,2,2-trifluoroethanol 16.37
    methyl butyrate 43.85

    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