5-methyl-2H-pyran-2-one

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  • Identifiers

    CAS number
    51270-32-7

    Molecular formula
    C6H6O2

    SMILES
    CC1=COC(=O)C=C1

  • Odor profile

    Fragrance
    Sweet 88.89%
    Caramellic 54.67%
    Coumarinic 53.98%
    Nutty 49.01%
    Coconut 42.48%
    Almond 40.94%
    Hay 40.67%
    Tobacco 38.87%
    Burnt 38.19%
    Powdery 35.0%

     

    Flavor
    Sweet 82.8%
    Almond 51.92%
    Woody 46.36%
    Tonka 41.01%
    Tobacco 40.48%
    Bitter 40.27%
    Fruity 37.56%
    Caramel 36.98%
    Green 32.21%
    Cherry 31.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.96 (neutral)

    Molecular weight
    110.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    180°C

    Flash point

    • 56.47 ˚C est.

  • Synonyms

    • 5-methyl-2H-pyran-2-one
    • 51270-32-7
    • 2H-pyran-2-one, 5-methyl-
    • SCHEMBL979111
    • AKOS006287463
    • InChI=1/C6H6O2/c1-5-2-3-6(7)8-4-5/h2-4H,1H

  • Applications

    5-methyl-2H-pyran-2-one (CAS 51270-32-7) is commonly used as an odorant/fragrance ingredient in perfumery and as a flavor/aroma additive in food formulations; it also serves as an organic synthesis intermediate, providing a building block for fragrance derivatives and other chemical research compounds; it can act as a building block for specialty polymers and plastics in polymer/plastics applications; in cosmetics and personal care, it may be used as a fragrance component or aroma ingredient in formulations; additional potential uses exist in coatings/inks and other industrial systems as a precursor or aroma stabilizer, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 287.25
    methanol 382.1
    isopropanol 206.84
    water 5.65
    ethyl acetate 158.4
    n-propanol 189.68
    acetone 216.94
    n-butanol 158.0
    acetonitrile 158.25
    DMF 508.21
    toluene 72.69
    isobutanol 136.65
    1,4-dioxane 241.41
    methyl acetate 241.8
    THF 248.85
    2-butanone 199.36
    n-pentanol 122.67
    sec-butanol 177.17
    n-hexane 4.9
    ethylene glycol 95.07
    NMP 190.77
    cyclohexane 4.02
    DMSO 248.59
    n-butyl acetate 97.12
    n-octanol 77.96
    chloroform 150.71
    n-propyl acetate 84.12
    acetic acid 124.39
    dichloromethane 159.98
    cyclohexanone 109.32
    propylene glycol 106.42
    isopropyl acetate 80.43
    DMAc 416.1
    2-ethoxyethanol 236.73
    isopentanol 158.85
    n-heptane 5.87
    ethyl formate 136.27
    1,2-dichloroethane 114.51
    n-hexanol 122.32
    2-methoxyethanol 392.8
    isobutyl acetate 54.17
    tetrachloromethane 22.54
    n-pentyl acetate 65.24
    transcutol 559.14
    n-heptanol 72.17
    ethylbenzene 50.89
    MIBK 93.77
    2-propoxyethanol 215.17
    tert-butanol 239.91
    MTBE 159.32
    2-butoxyethanol 145.19
    propionic acid 129.1
    o-xylene 57.15
    formic acid 118.91
    diethyl ether 111.0
    m-xylene 57.77
    p-xylene 60.1
    chlorobenzene 71.64
    dimethyl carbonate 84.17
    n-octane 3.68
    formamide 199.39
    cyclopentanone 147.54
    2-pentanone 133.37
    anisole 135.22
    cyclopentyl methyl ether 95.13
    gamma-butyrolactone 169.98
    1-methoxy-2-propanol 271.61
    pyridine 169.24
    3-pentanone 84.99
    furfural 197.26
    n-dodecane 4.6
    diethylene glycol 196.62
    diisopropyl ether 29.57
    tert-amyl alcohol 206.5
    acetylacetone 128.1
    n-hexadecane 5.14
    acetophenone 104.18
    methyl propionate 151.74
    isopentyl acetate 94.75
    trichloroethylene 197.66
    n-nonanol 63.97
    cyclohexanol 78.03
    benzyl alcohol 108.16
    2-ethylhexanol 73.4
    isooctanol 61.27
    dipropyl ether 49.88
    1,2-dichlorobenzene 65.09
    ethyl lactate 60.02
    propylene carbonate 96.68
    n-methylformamide 263.54
    2-pentanol 103.86
    n-pentane 5.35
    1-propoxy-2-propanol 137.01
    1-methoxy-2-propyl acetate 113.6
    2-(2-methoxypropoxy) propanol 149.83
    mesitylene 33.18
    ε-caprolactone 113.74
    p-cymene 33.04
    epichlorohydrin 244.66
    1,1,1-trichloroethane 85.05
    2-aminoethanol 157.14
    morpholine-4-carbaldehyde 291.49
    sulfolane 140.13
    2,2,4-trimethylpentane 7.08
    2-methyltetrahydrofuran 181.42
    n-hexyl acetate 100.52
    isooctane 6.2
    2-(2-butoxyethoxy)ethanol 192.6
    sec-butyl acetate 62.76
    tert-butyl acetate 94.0
    decalin 6.59
    glycerin 132.6
    diglyme 333.9
    acrylic acid 108.32
    isopropyl myristate 38.74
    n-butyric acid 132.56
    acetyl acetate 69.36
    di(2-ethylhexyl) phthalate 44.54
    ethyl propionate 78.92
    nitromethane 282.75
    1,2-diethoxyethane 124.61
    benzonitrile 102.87
    trioctyl phosphate 32.25
    1-bromopropane 72.76
    gamma-valerolactone 226.0
    n-decanol 48.86
    triethyl phosphate 37.42
    4-methyl-2-pentanol 72.63
    propionitrile 133.67
    vinylene carbonate 104.03
    1,1,2-trichlorotrifluoroethane 165.89
    DMS 78.96
    cumene 38.62
    2-octanol 50.44
    2-hexanone 93.5
    octyl acetate 53.56
    limonene 39.5
    1,2-dimethoxyethane 272.08
    ethyl orthosilicate 37.12
    tributyl phosphate 37.11
    diacetone alcohol 160.8
    N,N-dimethylaniline 98.56
    acrylonitrile 171.82
    aniline 107.07
    1,3-propanediol 195.96
    bromobenzene 64.81
    dibromomethane 98.04
    1,1,2,2-tetrachloroethane 149.84
    2-methyl-cyclohexyl acetate 55.74
    tetrabutyl urea 55.91
    diisobutyl methanol 44.26
    2-phenylethanol 110.48
    styrene 58.4
    dioctyl adipate 51.69
    dimethyl sulfate 107.09
    ethyl butyrate 64.1
    methyl lactate 94.39
    butyl lactate 63.52
    diethyl carbonate 49.99
    propanediol butyl ether 148.1
    triethyl orthoformate 47.3
    p-tert-butyltoluene 33.21
    methyl 4-tert-butylbenzoate 97.13
    morpholine 273.9
    tert-butylamine 122.16
    n-dodecanol 36.51
    dimethoxymethane 254.94
    ethylene carbonate 77.15
    cyrene 99.52
    2-ethoxyethyl acetate 106.65
    2-ethylhexyl acetate 69.14
    1,2,4-trichlorobenzene 80.29
    4-methylpyridine 185.36
    dibutyl ether 57.49
    2,6-dimethyl-4-heptanol 44.26
    DEF 176.13
    dimethyl isosorbide 168.36
    tetrachloroethylene 93.12
    eugenol 115.16
    triacetin 82.32
    span 80 96.85
    1,4-butanediol 92.79
    1,1-dichloroethane 119.99
    2-methyl-1-pentanol 124.24
    methyl formate 193.83
    2-methyl-1-butanol 142.88
    n-decane 6.73
    butyronitrile 129.94
    3,7-dimethyl-1-octanol 79.76
    1-chlorooctane 34.07
    1-chlorotetradecane 14.59
    n-nonane 6.11
    undecane 5.46
    tert-butylcyclohexane 9.3
    cyclooctane 2.18
    cyclopentanol 88.38
    tetrahydropyran 130.87
    tert-amyl methyl ether 120.11
    2,5,8-trioxanonane 234.8
    1-hexene 32.35
    2-isopropoxyethanol 157.41
    2,2,2-trifluoroethanol 63.43
    methyl butyrate 102.86

    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