6-Methoxy-4-methylcoumarin

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  • Identifiers

    CAS number
    6295-35-8

    Molecular formula
    C11H10O3

    SMILES
    CC1=CC(=O)OC2=C1C=C(C=C2)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 74.23%
    Phenolic 45.0%
    Coumarinic 44.55%
    Powdery 43.31%
    Nutty 42.71%
    Vanilla 42.27%
    Hay 39.18%
    Coconut 34.81%
    Creamy 34.6%
    Tobacco 32.38%

     

    Flavor
    Bitter 66.17%
    Sweet 37.78%
    Tonka 29.02%
    Balsam 25.39%
    Vanilla 23.82%
    Woody 23.54%
    Spice 22.61%
    Balsamic 20.8%
    Eugenol 20.66%
    Powdery 20.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.83 (weak acid)

    Molecular weight
    190.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Flash point

    • 143.42 ˚C est.

  • Synonyms

    • 6-Methoxy-4-methylcoumarin
    • 6295-35-8
    • 6-methoxy-4-methylchromen-2-one
    • DTXSID60279235
    • RefChem:1074039
    • DTXCID50230390
    • 6-methoxy-4-methyl-2H-chromen-2-one
    • 4-Methyl-6-methoxycoumarin
    • MFCD00635101
    • 6-Methoxy-4-methyl-chromen-2-one
    • NSC11841
    • 6-Methoxy-4-methyl-2H-1-benzopyran-2-one
    • 2H-1-Benzopyran-2-one, 6-methoxy-4-methyl-
    • TimTec1_005460
    • 6-methoxy-4-methyl coumarin
    • MLS000085646
    • orb1710774
    • SCHEMBL7115071
    • CHEMBL1562020
    • HMS1549I04
    • HMS2308E04
    • 6-Methoxy-4-methylcoumarin, 98%
    • MSK164144
    • NSC-11841
    • STK749417
    • AKOS001704594
    • AT15780
    • EBC-617264
    • NCGC00050291-02
    • NCGC00173199-01
    • AS-62242
    • NCI60_000442
    • PD211489
    • SMR000020775
    • DB-023751
    • ST4010772
    • CS-0312825
    • M1398
    • AK-087/40097203
    • SR-01000509815
    • SR-01000509815-1
    • 6295-35-8

  • Applications

    6-Methoxy-4-methylcoumarin (CAS 6295-35-8) is a versatile building block in organic synthesis with real-world applications in perfumery and cosmetics as a fragrance ingredient contributing vanilla-like coumarin notes and, in some formulations, acting as a fixative; it also serves as a precursor to other coumarin derivatives used in specialty dyes and polymer-related materials; in analytical and materials research, it is explored as a fluorescent probe or labeling reagent due to its photophysical properties; and in industrial manufacturing it provides an intermediate for the preparation of dye intermediates and other functional materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.55
    methanol 33.5
    isopropanol 19.44
    water 0.1
    ethyl acetate 47.37
    n-propanol 22.71
    acetone 69.78
    n-butanol 21.98
    acetonitrile 55.59
    DMF 214.11
    toluene 31.33
    isobutanol 20.0
    1,4-dioxane 144.66
    methyl acetate 69.6
    THF 150.72
    2-butanone 61.53
    n-pentanol 22.9
    sec-butanol 17.77
    n-hexane 0.95
    ethylene glycol 9.42
    NMP 79.85
    cyclohexane 2.14
    DMSO 164.43
    n-butyl acetate 43.55
    n-octanol 15.49
    chloroform 98.86
    n-propyl acetate 44.94
    acetic acid 35.6
    dichloromethane 172.71
    cyclohexanone 85.84
    propylene glycol 5.63
    isopropyl acetate 24.06
    DMAc 147.75
    2-ethoxyethanol 60.89
    isopentanol 23.32
    n-heptane 2.08
    ethyl formate 48.67
    1,2-dichloroethane 121.61
    n-hexanol 28.76
    2-methoxyethanol 99.78
    isobutyl acetate 27.84
    tetrachloromethane 9.25
    n-pentyl acetate 28.73
    transcutol 112.15
    n-heptanol 17.2
    ethylbenzene 20.39
    MIBK 29.07
    2-propoxyethanol 70.64
    tert-butanol 43.0
    MTBE 26.59
    2-butoxyethanol 40.06
    propionic acid 21.98
    o-xylene 24.31
    formic acid 20.17
    diethyl ether 27.62
    m-xylene 22.17
    p-xylene 33.54
    chlorobenzene 42.58
    dimethyl carbonate 28.15
    n-octane 1.48
    formamide 54.16
    cyclopentanone 100.81
    2-pentanone 42.17
    anisole 53.67
    cyclopentyl methyl ether 43.99
    gamma-butyrolactone 111.74
    1-methoxy-2-propanol 49.5
    pyridine 111.11
    3-pentanone 37.54
    furfural 123.29
    n-dodecane 1.89
    diethylene glycol 56.48
    diisopropyl ether 7.58
    tert-amyl alcohol 26.96
    acetylacetone 60.07
    n-hexadecane 2.23
    acetophenone 52.44
    methyl propionate 45.19
    isopentyl acetate 40.28
    trichloroethylene 180.17
    n-nonanol 16.25
    cyclohexanol 24.52
    benzyl alcohol 44.75
    2-ethylhexanol 21.42
    isooctanol 15.4
    dipropyl ether 22.05
    1,2-dichlorobenzene 40.41
    ethyl lactate 18.17
    propylene carbonate 46.97
    n-methylformamide 77.68
    2-pentanol 12.03
    n-pentane 0.76
    1-propoxy-2-propanol 36.91
    1-methoxy-2-propyl acetate 44.5
    2-(2-methoxypropoxy) propanol 42.72
    mesitylene 12.26
    ε-caprolactone 69.27
    p-cymene 16.45
    epichlorohydrin 187.97
    1,1,1-trichloroethane 61.96
    2-aminoethanol 16.22
    morpholine-4-carbaldehyde 142.79
    sulfolane 95.39
    2,2,4-trimethylpentane 1.11
    2-methyltetrahydrofuran 78.57
    n-hexyl acetate 34.72
    isooctane 0.83
    2-(2-butoxyethoxy)ethanol 53.23
    sec-butyl acetate 25.45
    tert-butyl acetate 31.16
    decalin 2.8
    glycerin 15.91
    diglyme 118.37
    acrylic acid 21.17
    isopropyl myristate 17.34
    n-butyric acid 32.64
    acetyl acetate 27.2
    di(2-ethylhexyl) phthalate 19.24
    ethyl propionate 37.63
    nitromethane 106.52
    1,2-diethoxyethane 51.73
    benzonitrile 54.05
    trioctyl phosphate 13.36
    1-bromopropane 39.63
    gamma-valerolactone 152.25
    n-decanol 13.41
    triethyl phosphate 23.15
    4-methyl-2-pentanol 10.06
    propionitrile 48.69
    vinylene carbonate 59.16
    1,1,2-trichlorotrifluoroethane 68.52
    DMS 38.28
    cumene 16.72
    2-octanol 12.37
    2-hexanone 45.78
    octyl acetate 21.7
    limonene 18.59
    1,2-dimethoxyethane 160.9
    ethyl orthosilicate 21.99
    tributyl phosphate 17.2
    diacetone alcohol 43.78
    N,N-dimethylaniline 38.36
    acrylonitrile 68.48
    aniline 37.66
    1,3-propanediol 33.51
    bromobenzene 42.49
    dibromomethane 81.95
    1,1,2,2-tetrachloroethane 103.68
    2-methyl-cyclohexyl acetate 33.31
    tetrabutyl urea 26.46
    diisobutyl methanol 13.86
    2-phenylethanol 44.02
    styrene 22.02
    dioctyl adipate 25.3
    dimethyl sulfate 48.83
    ethyl butyrate 34.43
    methyl lactate 17.62
    butyl lactate 20.0
    diethyl carbonate 28.71
    propanediol butyl ether 23.32
    triethyl orthoformate 25.49
    p-tert-butyltoluene 14.62
    methyl 4-tert-butylbenzoate 38.94
    morpholine 125.4
    tert-butylamine 18.62
    n-dodecanol 11.37
    dimethoxymethane 116.83
    ethylene carbonate 48.58
    cyrene 44.2
    2-ethoxyethyl acetate 48.01
    2-ethylhexyl acetate 33.31
    1,2,4-trichlorobenzene 45.2
    4-methylpyridine 98.87
    dibutyl ether 23.41
    2,6-dimethyl-4-heptanol 13.86
    DEF 60.42
    dimethyl isosorbide 77.53
    tetrachloroethylene 68.78
    eugenol 44.25
    triacetin 35.14
    span 80 26.75
    1,4-butanediol 13.17
    1,1-dichloroethane 66.7
    2-methyl-1-pentanol 24.33
    methyl formate 71.9
    2-methyl-1-butanol 20.93
    n-decane 2.72
    butyronitrile 42.93
    3,7-dimethyl-1-octanol 17.86
    1-chlorooctane 13.0
    1-chlorotetradecane 6.6
    n-nonane 2.19
    undecane 2.24
    tert-butylcyclohexane 2.55
    cyclooctane 0.81
    cyclopentanol 26.68
    tetrahydropyran 72.22
    tert-amyl methyl ether 22.18
    2,5,8-trioxanonane 85.25
    1-hexene 7.05
    2-isopropoxyethanol 43.19
    2,2,2-trifluoroethanol 20.13
    methyl butyrate 54.98

    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