5-Methylcoumarin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    42286-84-0

    Molecular formula
    C10H8O2

    SMILES
    CC1=C2C=CC(=O)OC2=CC=C1

  • Odor profile

    Fragrance
    Sweet 87.19%
    Coumarinic 65.29%
    Powdery 54.14%
    Coconut 52.88%
    Hay 46.93%
    Floral 42.06%
    Nutty 40.45%
    Tobacco 39.35%
    Phenolic 39.33%
    Vanilla 37.88%

     

    Flavor
    Bitter 62.38%
    Sweet 58.54%
    Tonka 41.14%
    Almond 36.93%
    Green 31.06%
    Balsam 30.67%
    Phenolic 29.76%
    Tobacco 28.74%
    Coconut 23.9%
    Woody 23.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.17 (neutral)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 127.93 ˚C est.

  • Synonyms

    • 5-Methylcoumarin
    • 5-methylchromen-2-one
    • 42286-84-0
    • 2H-1-Benzopyran-2-one, 5-methyl-
    • 5-Methyl-2H-1-benzopyran-2-one
    • COUMARIN, 5-METHYL-
    • BRN 0121650
    • UNII-L84SSL862I
    • 5-Methyl-2H-chromen-2-one
    • L84SSL862I
    • DTXSID70195119
    • 5-17-10-00167 (Beilstein Handbook Reference)
    • 2H-1-Benzopyran-2-one, 5-methyl- (9CI)
    • SCHEMBL546445
    • DTXCID30117610
    • FXMGSXNQELBPMX-UHFFFAOYSA-N
    • AKOS006373852
    • 2H-1-Benzopyran-2-one, 5-methyl-(9CI)
    • Q27282832

  • Applications

    5-Methylcoumarin is primarily used as an odorant in the fragrance sector and as a precursor in flavor chemistry, owing to its characteristic coumarin-like aroma. It also serves as an intermediate in the synthesis of other coumarin derivatives for applications in pharmaceuticals, agrochemicals, and dyes. In cosmetics and personal care, it may be used as a fragrance ingredient; in household and cleaning products, it can function as a fragrance additive; at the industrial scale, it is commonly used as a starting material for preparing related aromatic compounds and specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 78.73
    methanol 130.55
    isopropanol 38.56
    water 0.24
    ethyl acetate 334.01
    n-propanol 60.72
    acetone 525.01
    n-butanol 51.9
    acetonitrile 288.01
    DMF 1343.1
    toluene 119.79
    isobutanol 40.19
    1,4-dioxane 867.93
    methyl acetate 404.42
    THF 1250.31
    2-butanone 366.88
    n-pentanol 40.65
    sec-butanol 37.04
    n-hexane 3.48
    ethylene glycol 18.39
    NMP 874.91
    cyclohexane 5.57
    DMSO 872.68
    n-butyl acetate 163.14
    n-octanol 26.46
    chloroform 322.29
    n-propyl acetate 157.06
    acetic acid 145.64
    dichloromethane 871.84
    cyclohexanone 459.44
    propylene glycol 13.11
    isopropyl acetate 139.37
    DMAc 501.13
    2-ethoxyethanol 135.14
    isopentanol 53.28
    n-heptane 6.41
    ethyl formate 163.51
    1,2-dichloroethane 753.91
    n-hexanol 53.87
    2-methoxyethanol 295.62
    isobutyl acetate 81.61
    tetrachloromethane 23.85
    n-pentyl acetate 96.19
    transcutol 721.02
    n-heptanol 28.23
    ethylbenzene 44.63
    MIBK 120.59
    2-propoxyethanol 184.84
    tert-butanol 67.04
    MTBE 116.69
    2-butoxyethanol 86.04
    propionic acid 102.7
    o-xylene 56.69
    formic acid 55.25
    diethyl ether 222.67
    m-xylene 68.09
    p-xylene 58.52
    chlorobenzene 162.2
    dimethyl carbonate 184.86
    n-octane 2.89
    formamide 226.23
    cyclopentanone 911.53
    2-pentanone 267.53
    anisole 158.1
    cyclopentyl methyl ether 342.33
    gamma-butyrolactone 1056.11
    1-methoxy-2-propanol 155.87
    pyridine 519.78
    3-pentanone 228.46
    furfural 579.01
    n-dodecane 3.09
    diethylene glycol 130.1
    diisopropyl ether 41.62
    tert-amyl alcohol 55.14
    acetylacetone 383.58
    n-hexadecane 3.74
    acetophenone 144.19
    methyl propionate 343.71
    isopentyl acetate 129.11
    trichloroethylene 1045.82
    n-nonanol 27.36
    cyclohexanol 63.93
    benzyl alcohol 87.89
    2-ethylhexanol 38.47
    isooctanol 26.29
    dipropyl ether 78.37
    1,2-dichlorobenzene 143.37
    ethyl lactate 49.06
    propylene carbonate 292.12
    n-methylformamide 463.01
    2-pentanol 32.33
    n-pentane 3.16
    1-propoxy-2-propanol 99.06
    1-methoxy-2-propyl acetate 186.65
    2-(2-methoxypropoxy) propanol 116.5
    mesitylene 34.99
    ε-caprolactone 379.61
    p-cymene 31.84
    epichlorohydrin 1495.59
    1,1,1-trichloroethane 226.17
    2-aminoethanol 34.96
    morpholine-4-carbaldehyde 814.88
    sulfolane 816.91
    2,2,4-trimethylpentane 3.57
    2-methyltetrahydrofuran 543.12
    n-hexyl acetate 123.88
    isooctane 3.14
    2-(2-butoxyethoxy)ethanol 168.49
    sec-butyl acetate 87.38
    tert-butyl acetate 155.61
    decalin 6.96
    glycerin 31.85
    diglyme 403.16
    acrylic acid 105.63
    isopropyl myristate 48.89
    n-butyric acid 122.51
    acetyl acetate 180.03
    di(2-ethylhexyl) phthalate 47.46
    ethyl propionate 140.35
    nitromethane 767.4
    1,2-diethoxyethane 228.88
    benzonitrile 148.11
    trioctyl phosphate 32.47
    1-bromopropane 161.29
    gamma-valerolactone 967.88
    n-decanol 22.2
    triethyl phosphate 54.59
    4-methyl-2-pentanol 24.76
    propionitrile 151.96
    vinylene carbonate 265.66
    1,1,2-trichlorotrifluoroethane 245.18
    DMS 196.17
    cumene 30.21
    2-octanol 21.32
    2-hexanone 139.5
    octyl acetate 63.49
    limonene 43.77
    1,2-dimethoxyethane 381.87
    ethyl orthosilicate 49.89
    tributyl phosphate 45.34
    diacetone alcohol 154.34
    N,N-dimethylaniline 82.03
    acrylonitrile 275.51
    aniline 117.59
    1,3-propanediol 67.39
    bromobenzene 168.34
    dibromomethane 340.64
    1,1,2,2-tetrachloroethane 470.68
    2-methyl-cyclohexyl acetate 83.82
    tetrabutyl urea 58.84
    diisobutyl methanol 26.84
    2-phenylethanol 95.02
    styrene 59.0
    dioctyl adipate 78.13
    dimethyl sulfate 286.27
    ethyl butyrate 102.67
    methyl lactate 73.94
    butyl lactate 58.51
    diethyl carbonate 77.73
    propanediol butyl ether 64.97
    triethyl orthoformate 68.46
    p-tert-butyltoluene 29.95
    methyl 4-tert-butylbenzoate 108.28
    morpholine 772.03
    tert-butylamine 32.47
    n-dodecanol 17.81
    dimethoxymethane 640.77
    ethylene carbonate 219.2
    cyrene 119.88
    2-ethoxyethyl acetate 210.19
    2-ethylhexyl acetate 105.04
    1,2,4-trichlorobenzene 171.57
    4-methylpyridine 407.62
    dibutyl ether 64.37
    2,6-dimethyl-4-heptanol 26.84
    DEF 368.49
    dimethyl isosorbide 270.64
    tetrachloroethylene 257.49
    eugenol 104.39
    triacetin 139.81
    span 80 78.08
    1,4-butanediol 24.85
    1,1-dichloroethane 315.91
    2-methyl-1-pentanol 45.24
    methyl formate 398.64
    2-methyl-1-butanol 46.6
    n-decane 4.64
    butyronitrile 118.76
    3,7-dimethyl-1-octanol 34.1
    1-chlorooctane 26.17
    1-chlorotetradecane 12.08
    n-nonane 4.03
    undecane 3.76
    tert-butylcyclohexane 6.39
    cyclooctane 2.51
    cyclopentanol 98.75
    tetrahydropyran 451.23
    tert-amyl methyl ether 89.6
    2,5,8-trioxanonane 245.15
    1-hexene 21.54
    2-isopropoxyethanol 90.41
    2,2,2-trifluoroethanol 64.98
    methyl butyrate 167.64

    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