8-Methylcoumarin

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  • Identifiers

    CAS number
    1807-36-9

    Molecular formula
    C10H8O2

    SMILES
    CC1=C2C(=CC=C1)C=CC(=O)O2

  • Odor profile

    Fragrance
    Sweet 88.71%
    Coumarinic 66.66%
    Powdery 54.91%
    Coconut 48.53%
    Hay 48.18%
    Floral 45.79%
    Nutty 43.41%
    Vanilla 41.81%
    Tobacco 41.55%
    Almond 40.17%

     

    Flavor
    Bitter 66.97%
    Sweet 59.11%
    Tonka 41.6%
    Almond 35.1%
    Tobacco 31.57%
    Balsam 30.06%
    Green 28.43%
    Phenolic 27.95%
    Woody 26.54%
    Medical 23.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.02 (neutral)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point

    • 122.48 ˚C est.

  • Synonyms

    • 8-Methylcoumarin
    • 1807-36-9
    • 8-Methyl-2H-chromen-2-one
    • 8-methylchromen-2-one
    • 2H-1-Benzopyran-2-one, 8-methyl-
    • COUMARIN, 8-METHYL-
    • 8-Methyl-2H-1-benzopyran-2-one
    • BRN 0121434
    • 8-Methyl coumarin
    • UNII-V8PST2379Y
    • V8PST2379Y
    • DTXSID60170995
    • 5-17-10-00170 (Beilstein Handbook Reference)
    • 2H-1-Benzopyran-2-one, 8-methyl- (9CI)
    • SCHEMBL836924
    • DTXCID9093486
    • 8-Methyl-2H-chromen-2-one #
    • MFCD01731764
    • AKOS006279038
    • SY300597
    • 2H-1-Benzopyran-2-one, 8-methyl-(9CI)
    • Q27291670

  • Applications

    Chemical name: 8-Methylcoumarin, CAS number: 1807-36-9. 8-Methylcoumarin is used as an aroma/fragrance ingredient in perfumery, contributing a vanilla-like note, and may be employed in cosmetics and personal care formulations for fragrance purposes. It is also used as an organic synthesis intermediate and building block for dyes and pharmaceutical intermediates in industrial manufacturing. In coatings and inks, it may serve as a dye precursor for pigment synthesis and as a coupling partner in coumarin-based colorant development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 109.13
    methanol 161.39
    isopropanol 72.73
    water 0.6
    ethyl acetate 230.8
    n-propanol 79.36
    acetone 414.55
    n-butanol 75.62
    acetonitrile 224.64
    DMF 746.65
    toluene 133.6
    isobutanol 64.96
    1,4-dioxane 690.22
    methyl acetate 293.96
    THF 698.65
    2-butanone 305.61
    n-pentanol 75.41
    sec-butanol 68.71
    n-hexane 11.68
    ethylene glycol 29.77
    NMP 346.62
    cyclohexane 8.22
    DMSO 529.25
    n-butyl acetate 206.96
    n-octanol 66.95
    chloroform 352.64
    n-propyl acetate 189.2
    acetic acid 113.31
    dichloromethane 657.07
    cyclohexanone 294.63
    propylene glycol 19.01
    isopropyl acetate 128.94
    DMAc 390.99
    2-ethoxyethanol 187.55
    isopentanol 84.33
    n-heptane 13.69
    ethyl formate 154.41
    1,2-dichloroethane 529.95
    n-hexanol 98.66
    2-methoxyethanol 283.36
    isobutyl acetate 116.29
    tetrachloromethane 42.87
    n-pentyl acetate 139.94
    transcutol 563.87
    n-heptanol 66.75
    ethylbenzene 81.75
    MIBK 141.07
    2-propoxyethanol 239.15
    tert-butanol 113.7
    MTBE 156.31
    2-butoxyethanol 148.97
    propionic acid 86.66
    o-xylene 87.57
    formic acid 43.09
    diethyl ether 202.37
    m-xylene 98.23
    p-xylene 102.22
    chlorobenzene 157.64
    dimethyl carbonate 138.48
    n-octane 9.81
    formamide 134.15
    cyclopentanone 498.23
    2-pentanone 230.51
    anisole 196.65
    cyclopentyl methyl ether 228.82
    gamma-butyrolactone 521.1
    1-methoxy-2-propanol 182.95
    pyridine 350.01
    3-pentanone 190.28
    furfural 377.81
    n-dodecane 9.08
    diethylene glycol 168.84
    diisopropyl ether 55.18
    tert-amyl alcohol 96.36
    acetylacetone 302.66
    n-hexadecane 10.58
    acetophenone 175.08
    methyl propionate 213.54
    isopentyl acetate 157.55
    trichloroethylene 711.63
    n-nonanol 62.37
    cyclohexanol 66.44
    benzyl alcohol 118.59
    2-ethylhexanol 70.22
    isooctanol 58.13
    dipropyl ether 102.29
    1,2-dichlorobenzene 147.29
    ethyl lactate 69.58
    propylene carbonate 204.8
    n-methylformamide 291.12
    2-pentanol 57.53
    n-pentane 7.55
    1-propoxy-2-propanol 138.25
    1-methoxy-2-propyl acetate 175.79
    2-(2-methoxypropoxy) propanol 133.97
    mesitylene 58.96
    ε-caprolactone 249.82
    p-cymene 51.33
    epichlorohydrin 781.47
    1,1,1-trichloroethane 228.3
    2-aminoethanol 48.12
    morpholine-4-carbaldehyde 481.27
    sulfolane 464.79
    2,2,4-trimethylpentane 7.8
    2-methyltetrahydrofuran 344.84
    n-hexyl acetate 183.25
    isooctane 7.24
    2-(2-butoxyethoxy)ethanol 200.19
    sec-butyl acetate 111.44
    tert-butyl acetate 150.06
    decalin 13.34
    glycerin 41.47
    diglyme 429.07
    acrylic acid 85.91
    isopropyl myristate 67.35
    n-butyric acid 117.54
    acetyl acetate 126.58
    di(2-ethylhexyl) phthalate 56.43
    ethyl propionate 152.49
    nitromethane 404.2
    1,2-diethoxyethane 233.95
    benzonitrile 166.29
    trioctyl phosphate 45.25
    1-bromopropane 177.15
    gamma-valerolactone 552.91
    n-decanol 48.8
    triethyl phosphate 61.16
    4-methyl-2-pentanol 47.1
    propionitrile 158.56
    vinylene carbonate 209.06
    1,1,2-trichlorotrifluoroethane 200.3
    DMS 177.92
    cumene 57.24
    2-octanol 53.2
    2-hexanone 187.23
    octyl acetate 86.7
    limonene 60.29
    1,2-dimethoxyethane 450.94
    ethyl orthosilicate 58.73
    tributyl phosphate 55.18
    diacetone alcohol 164.69
    N,N-dimethylaniline 121.99
    acrylonitrile 240.02
    aniline 117.93
    1,3-propanediol 91.04
    bromobenzene 171.05
    dibromomethane 329.95
    1,1,2,2-tetrachloroethane 400.64
    2-methyl-cyclohexyl acetate 93.22
    tetrabutyl urea 76.52
    diisobutyl methanol 45.61
    2-phenylethanol 135.57
    styrene 97.67
    dioctyl adipate 84.45
    dimethyl sulfate 200.35
    ethyl butyrate 126.03
    methyl lactate 71.35
    butyl lactate 84.94
    diethyl carbonate 85.88
    propanediol butyl ether 107.2
    triethyl orthoformate 77.34
    p-tert-butyltoluene 50.73
    methyl 4-tert-butylbenzoate 132.59
    morpholine 475.21
    tert-butylamine 66.17
    n-dodecanol 38.3
    dimethoxymethane 475.57
    ethylene carbonate 174.45
    cyrene 127.16
    2-ethoxyethyl acetate 219.0
    2-ethylhexyl acetate 126.2
    1,2,4-trichlorobenzene 156.19
    4-methylpyridine 310.94
    dibutyl ether 99.45
    2,6-dimethyl-4-heptanol 45.61
    DEF 266.66
    dimethyl isosorbide 228.5
    tetrachloroethylene 253.3
    eugenol 140.71
    triacetin 141.21
    span 80 92.01
    1,4-butanediol 42.94
    1,1-dichloroethane 292.52
    2-methyl-1-pentanol 79.14
    methyl formate 261.07
    2-methyl-1-butanol 74.42
    n-decane 13.37
    butyronitrile 139.46
    3,7-dimethyl-1-octanol 62.97
    1-chlorooctane 59.28
    1-chlorotetradecane 26.15
    n-nonane 12.51
    undecane 10.83
    tert-butylcyclohexane 14.54
    cyclooctane 4.95
    cyclopentanol 90.44
    tetrahydropyran 307.77
    tert-amyl methyl ether 117.81
    2,5,8-trioxanonane 242.88
    1-hexene 53.42
    2-isopropoxyethanol 138.16
    2,2,2-trifluoroethanol 56.19
    methyl butyrate 200.28

    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