3-Methoxy-2-methyl-4H-pyran-4-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4780-14-7

    Molecular formula
    C7H8O3

    SMILES
    CC1=C(C(=O)C=CO1)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 89.24%
    Caramellic 78.69%
    Fruity 74.67%
    Burnt 53.37%
    Strawberry 42.99%
    Nutty 41.23%
    Coffee 37.38%
    Berry 36.93%
    Roasted 33.85%
    Musty 33.74%

     

    Flavor
    Sweet 85.39%
    Caramel 63.36%
    Fruity 48.92%
    Woody 44.42%
    Creamy 37.78%
    Tobacco 37.74%
    Almond 37.28%
    Spice 35.75%
    Coffee 33.16%
    Musty 32.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.75 (neutral)

    Molecular weight
    140.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 74.7 ˚C est.

  • Synonyms

    • 3-Methoxy-2-methyl-4H-pyran-4-one
    • 4780-14-7
    • 3-methoxy-2-methylpyran-4-one
    • 4H-Pyran-4-one, 3-methoxy-2-methyl-
    • 7LRK55XU37
    • DTXSID10343137
    • RefChem:1068118
    • DTXCID70294217
    • 610-382-6
    • 3-Methoxy-2-Methyl-pyran-4-one
    • MFCD14553191
    • 3-methoxy-2-methyl-4-pyrone
    • 3-Methoxy-2-methyl-4-pyranone
    • 2-Methyl-3-methoxy-4H-pyran-4-one
    • Pantoprazole Sodium Impurity 8
    • SCHEMBL7100551
    • CHEBI:217946
    • ALBB-027294
    • AKOS015995164
    • 3-Methoxy-2-methyl-4H-pyran-4-one #
    • LS-09349
    • SY148544
    • DB-348365
    • CS-0153636
    • D82596
    • EN300-129191
    • InChI=1/C7H8O3/c1-5-7(9-2)6(8)3-4-10-5/h3-4H,1-2H
    • 4780-14-7

  • Applications

    3-Methoxy-2-methyl-4H-pyran-4-one (CAS 4780-14-7) is typically considered in fragrance and flavor applications, where it may serve as an odorant or aroma precursor in perfumery; it can be evaluated as a flavor/aroma additive in food processing when permitted by regulation; in cosmetics and personal care it may function as a fragrance ingredient; in household products it can contribute scent in cleaners and air-freshening formulations; it is also used as a chemical intermediate in industrial manufacturing for the synthesis of other specialty chemicals; and it may find use in coatings, inks, or polymer formulations as a fragrance or processing aid under applicable regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 253.72
    methanol 391.2
    isopropanol 156.34
    water 18.6
    ethyl acetate 585.34
    n-propanol 199.33
    acetone 731.88
    n-butanol 152.9
    acetonitrile 840.3
    DMF 909.84
    toluene 149.45
    isobutanol 122.31
    1,4-dioxane 1156.97
    methyl acetate 586.81
    THF 997.44
    2-butanone 411.79
    n-pentanol 136.63
    sec-butanol 135.75
    n-hexane 34.66
    ethylene glycol 208.92
    NMP 717.88
    cyclohexane 49.36
    DMSO 1342.48
    n-butyl acetate 208.32
    n-octanol 74.24
    chloroform 686.48
    n-propyl acetate 278.05
    acetic acid 587.3
    dichloromethane 1015.38
    cyclohexanone 508.92
    propylene glycol 94.08
    isopropyl acetate 250.32
    DMAc 498.29
    2-ethoxyethanol 498.17
    isopentanol 123.59
    n-heptane 29.24
    ethyl formate 415.05
    1,2-dichloroethane 741.57
    n-hexanol 116.29
    2-methoxyethanol 785.9
    isobutyl acetate 130.11
    tetrachloromethane 171.7
    n-pentyl acetate 122.89
    transcutol 558.94
    n-heptanol 61.2
    ethylbenzene 93.0
    MIBK 192.63
    2-propoxyethanol 356.39
    tert-butanol 213.6
    MTBE 216.79
    2-butoxyethanol 156.42
    propionic acid 323.89
    o-xylene 105.76
    formic acid 441.29
    diethyl ether 398.03
    m-xylene 119.21
    p-xylene 121.7
    chlorobenzene 285.27
    dimethyl carbonate 302.09
    n-octane 12.68
    formamide 703.23
    cyclopentanone 730.97
    2-pentanone 346.37
    anisole 268.34
    cyclopentyl methyl ether 425.87
    gamma-butyrolactone 1201.41
    1-methoxy-2-propanol 409.98
    pyridine 489.9
    3-pentanone 312.4
    furfural 850.94
    n-dodecane 11.22
    diethylene glycol 401.22
    diisopropyl ether 103.86
    tert-amyl alcohol 160.16
    acetylacetone 549.42
    n-hexadecane 13.3
    acetophenone 218.25
    methyl propionate 484.22
    isopentyl acetate 152.63
    trichloroethylene 1088.97
    n-nonanol 66.3
    cyclohexanol 165.85
    benzyl alcohol 184.95
    2-ethylhexanol 82.98
    isooctanol 54.39
    dipropyl ether 150.92
    1,2-dichlorobenzene 274.66
    ethyl lactate 148.14
    propylene carbonate 440.72
    n-methylformamide 661.78
    2-pentanol 110.0
    n-pentane 30.26
    1-propoxy-2-propanol 194.53
    1-methoxy-2-propyl acetate 234.24
    2-(2-methoxypropoxy) propanol 156.28
    mesitylene 85.81
    ε-caprolactone 474.51
    p-cymene 61.59
    epichlorohydrin 1161.1
    1,1,1-trichloroethane 548.34
    2-aminoethanol 210.51
    morpholine-4-carbaldehyde 823.79
    sulfolane 1192.0
    2,2,4-trimethylpentane 20.5
    2-methyltetrahydrofuran 624.06
    n-hexyl acetate 164.06
    isooctane 16.69
    2-(2-butoxyethoxy)ethanol 206.43
    sec-butyl acetate 153.84
    tert-butyl acetate 260.89
    decalin 32.26
    glycerin 230.13
    diglyme 462.25
    acrylic acid 367.24
    isopropyl myristate 75.24
    n-butyric acid 315.88
    acetyl acetate 353.91
    di(2-ethylhexyl) phthalate 65.6
    ethyl propionate 283.38
    nitromethane 1600.85
    1,2-diethoxyethane 242.24
    benzonitrile 280.74
    trioctyl phosphate 54.58
    1-bromopropane 287.8
    gamma-valerolactone 915.09
    n-decanol 52.21
    triethyl phosphate 112.3
    4-methyl-2-pentanol 70.5
    propionitrile 434.29
    vinylene carbonate 468.17
    1,1,2-trichlorotrifluoroethane 581.31
    DMS 219.56
    cumene 68.05
    2-octanol 51.46
    2-hexanone 217.53
    octyl acetate 93.13
    limonene 86.89
    1,2-dimethoxyethane 743.85
    ethyl orthosilicate 104.82
    tributyl phosphate 70.12
    diacetone alcohol 256.45
    N,N-dimethylaniline 159.58
    acrylonitrile 624.52
    aniline 207.45
    1,3-propanediol 280.06
    bromobenzene 287.15
    dibromomethane 604.55
    1,1,2,2-tetrachloroethane 670.1
    2-methyl-cyclohexyl acetate 124.92
    tetrabutyl urea 94.51
    diisobutyl methanol 59.96
    2-phenylethanol 145.18
    styrene 124.59
    dioctyl adipate 110.15
    dimethyl sulfate 510.81
    ethyl butyrate 180.59
    methyl lactate 213.85
    butyl lactate 87.13
    diethyl carbonate 144.46
    propanediol butyl ether 115.8
    triethyl orthoformate 129.48
    p-tert-butyltoluene 63.29
    methyl 4-tert-butylbenzoate 156.26
    morpholine 883.84
    tert-butylamine 121.28
    n-dodecanol 42.58
    dimethoxymethane 745.39
    ethylene carbonate 400.78
    cyrene 206.43
    2-ethoxyethyl acetate 197.53
    2-ethylhexyl acetate 129.17
    1,2,4-trichlorobenzene 305.15
    4-methylpyridine 404.94
    dibutyl ether 105.25
    2,6-dimethyl-4-heptanol 59.96
    DEF 423.97
    dimethyl isosorbide 332.22
    tetrachloroethylene 511.11
    eugenol 150.39
    triacetin 178.45
    span 80 112.25
    1,4-butanediol 143.79
    1,1-dichloroethane 522.0
    2-methyl-1-pentanol 113.05
    methyl formate 718.75
    2-methyl-1-butanol 114.42
    n-decane 17.54
    butyronitrile 315.62
    3,7-dimethyl-1-octanol 68.01
    1-chlorooctane 67.84
    1-chlorotetradecane 31.85
    n-nonane 17.23
    undecane 13.75
    tert-butylcyclohexane 29.09
    cyclooctane 22.37
    cyclopentanol 234.41
    tetrahydropyran 553.45
    tert-amyl methyl ether 176.69
    2,5,8-trioxanonane 303.42
    1-hexene 89.26
    2-isopropoxyethanol 261.11
    2,2,2-trifluoroethanol 329.25
    methyl butyrate 327.3

    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