2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one

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  • Identifiers

    CAS number
    68555-63-5

    Molecular formula
    C9H10O4

    SMILES
    CCC(=O)OC1=C(OC=CC1=O)C

  • Odor profile

    Fragrance
    Fruity 97.86%
    Caramellic 82.7%
    Sweet 73.38%
    Berry 69.07%
    Strawberry 63.94%
    Tropical 59.8%
    Burnt 45.09%
    Pineapple 39.84%
    Buttery 31.18%
    Winey 29.02%

     

    Flavor
    Sweet 76.01%
    Fruity 62.17%
    Caramel 59.68%
    Creamy 39.73%
    Tobacco 30.71%
    Woody 30.7%
    Spice 27.87%
    Bread 26.79%
    Grape 26.44%
    Sugar 25.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    6.5 (neutral)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 153.00 °C. @ 1.00 mm Hg

    Flash point

    • 120.93 ˚C est.

    Solubility expt.

    • Insoluble in water; Soluble in fats
    • Soluble (in ethanol)

  • Synonyms

    • Maltol propionate
    • 68555-63-5
    • 2-Methyl-4-oxo-4H-pyran-3-yl propionate
    • 4H-Pyran-4-one, 2-methyl-3-(1-oxopropoxy)-
    • (2-methyl-4-oxopyran-3-yl) propanoate
    • 2-Methyl-3-(1-oxopropoxy)-4H-pyran-4-one
    • SO5F79G1MJ
    • 2-methyl-4-oxo-4H-pyran-3-yl propanoate
    • VELTOL PROPIONATE
    • UNII-SO5F79G1MJ
    • FEMA NO. 3941
    • MALTOL PROPIONATE [FHFI]
    • DTXSID90887463
    • EINECS 271-440-0
    • MFCD00036605
    • SCHEMBL1532533
    • FEMA 3941
    • CHEBI:173871
    • DTXCID501026757
    • AKOS006229549
    • DS-3281
    • 3-Hydroxy-2-methyl-4-pyrone Propionate
    • 2-METHYL-4-OXOPYRAN-3-YL PROPANOATE
    • CS-0152639
    • M0679
    • NS00012956
    • 2-Methyl-4-oxo-4H-pyran-3-yl propionate #
    • D81960
    • 2-Methyl-4-oxo-4H-pyran-3-yl propionate, AldrichCPR
    • Q27289312
    • 271-440-0

  • Applications

    2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one (CAS 68555-63-5) is primarily used as a fragrance-related ingredient, serving as an odorant or fragrance note in perfumery and in cosmetics/personal care, where it may also function as a fixative to help stabilize aromas; it is often evaluated as a building block or intermediate for the synthesis of additional aroma and flavor compounds in chemical and industrial manufacturing; it may be employed in flavor formulations where regulatory approval allows, as well as in household products such as air fresheners and cleaners to impart a specific aroma; in broader industrial contexts it can act as a precursor for heterocyclic compounds and related specialty chemicals used in research and development; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 104.79
    methanol 179.43
    isopropanol 81.15
    water 2.21
    ethyl acetate 213.53
    n-propanol 77.02
    acetone 416.27
    n-butanol 68.52
    acetonitrile 232.65
    DMF 521.65
    toluene 173.09
    isobutanol 64.47
    1,4-dioxane 364.88
    methyl acetate 324.9
    THF 348.74
    2-butanone 287.55
    n-pentanol 65.12
    sec-butanol 81.32
    n-hexane 6.54
    ethylene glycol 37.37
    NMP 465.88
    cyclohexane 19.26
    DMSO 596.79
    n-butyl acetate 135.52
    n-octanol 49.0
    chloroform 318.16
    n-propyl acetate 131.41
    acetic acid 175.84
    dichloromethane 554.44
    cyclohexanone 312.61
    propylene glycol 23.18
    isopropyl acetate 93.91
    DMAc 581.49
    2-ethoxyethanol 148.84
    isopentanol 73.97
    n-heptane 6.52
    ethyl formate 247.54
    1,2-dichloroethane 344.08
    n-hexanol 54.7
    2-methoxyethanol 224.51
    isobutyl acetate 67.88
    tetrachloromethane 33.96
    n-pentyl acetate 75.56
    transcutol 215.43
    n-heptanol 37.15
    ethylbenzene 105.58
    MIBK 85.96
    2-propoxyethanol 117.34
    tert-butanol 129.24
    MTBE 133.12
    2-butoxyethanol 81.13
    propionic acid 112.12
    o-xylene 131.56
    formic acid 104.35
    diethyl ether 120.02
    m-xylene 96.05
    p-xylene 151.57
    chlorobenzene 186.93
    dimethyl carbonate 126.01
    n-octane 5.41
    formamide 226.45
    cyclopentanone 359.95
    2-pentanone 159.46
    anisole 189.34
    cyclopentyl methyl ether 124.5
    gamma-butyrolactone 440.3
    1-methoxy-2-propanol 117.12
    pyridine 406.94
    3-pentanone 157.06
    furfural 494.07
    n-dodecane 7.29
    diethylene glycol 109.82
    diisopropyl ether 29.07
    tert-amyl alcohol 117.1
    acetylacetone 239.2
    n-hexadecane 8.45
    acetophenone 206.15
    methyl propionate 188.58
    isopentyl acetate 106.24
    trichloroethylene 551.85
    n-nonanol 44.48
    cyclohexanol 92.04
    benzyl alcohol 159.03
    2-ethylhexanol 48.69
    isooctanol 33.62
    dipropyl ether 48.89
    1,2-dichlorobenzene 166.88
    ethyl lactate 64.5
    propylene carbonate 222.57
    n-methylformamide 250.55
    2-pentanol 44.85
    n-pentane 7.12
    1-propoxy-2-propanol 71.95
    1-methoxy-2-propyl acetate 103.49
    2-(2-methoxypropoxy) propanol 99.54
    mesitylene 51.12
    ε-caprolactone 247.53
    p-cymene 49.96
    epichlorohydrin 471.86
    1,1,1-trichloroethane 197.75
    2-aminoethanol 53.79
    morpholine-4-carbaldehyde 384.83
    sulfolane 456.14
    2,2,4-trimethylpentane 7.14
    2-methyltetrahydrofuran 251.9
    n-hexyl acetate 108.19
    isooctane 3.59
    2-(2-butoxyethoxy)ethanol 113.85
    sec-butyl acetate 76.11
    tert-butyl acetate 96.34
    decalin 14.51
    glycerin 46.9
    diglyme 248.61
    acrylic acid 125.35
    isopropyl myristate 45.93
    n-butyric acid 118.15
    acetyl acetate 138.02
    di(2-ethylhexyl) phthalate 55.86
    ethyl propionate 123.72
    nitromethane 455.25
    1,2-diethoxyethane 114.04
    benzonitrile 215.28
    trioctyl phosphate 39.42
    1-bromopropane 134.73
    gamma-valerolactone 438.32
    n-decanol 36.54
    triethyl phosphate 67.52
    4-methyl-2-pentanol 30.21
    propionitrile 153.62
    vinylene carbonate 253.58
    1,1,2-trichlorotrifluoroethane 227.43
    DMS 126.55
    cumene 62.56
    2-octanol 32.27
    2-hexanone 123.41
    octyl acetate 63.36
    limonene 61.15
    1,2-dimethoxyethane 366.83
    ethyl orthosilicate 58.93
    tributyl phosphate 49.19
    diacetone alcohol 110.4
    N,N-dimethylaniline 133.73
    acrylonitrile 234.02
    aniline 157.23
    1,3-propanediol 83.79
    bromobenzene 203.14
    dibromomethane 284.86
    1,1,2,2-tetrachloroethane 358.1
    2-methyl-cyclohexyl acetate 89.68
    tetrabutyl urea 69.57
    diisobutyl methanol 31.89
    2-phenylethanol 113.41
    styrene 125.65
    dioctyl adipate 75.65
    dimethyl sulfate 194.68
    ethyl butyrate 109.18
    methyl lactate 76.19
    butyl lactate 54.21
    diethyl carbonate 98.39
    propanediol butyl ether 62.64
    triethyl orthoformate 70.63
    p-tert-butyltoluene 44.16
    methyl 4-tert-butylbenzoate 115.56
    morpholine 289.55
    tert-butylamine 68.07
    n-dodecanol 31.09
    dimethoxymethane 264.68
    ethylene carbonate 197.72
    cyrene 115.99
    2-ethoxyethyl acetate 110.14
    2-ethylhexyl acetate 89.45
    1,2,4-trichlorobenzene 192.69
    4-methylpyridine 398.1
    dibutyl ether 58.46
    2,6-dimethyl-4-heptanol 31.89
    DEF 230.68
    dimethyl isosorbide 167.93
    tetrachloroethylene 231.9
    eugenol 110.13
    triacetin 107.98
    span 80 69.15
    1,4-butanediol 42.41
    1,1-dichloroethane 237.22
    2-methyl-1-pentanol 73.63
    methyl formate 293.45
    2-methyl-1-butanol 72.45
    n-decane 9.44
    butyronitrile 139.33
    3,7-dimethyl-1-octanol 47.64
    1-chlorooctane 38.88
    1-chlorotetradecane 20.82
    n-nonane 8.15
    undecane 8.25
    tert-butylcyclohexane 11.51
    cyclooctane 6.1
    cyclopentanol 95.97
    tetrahydropyran 212.17
    tert-amyl methyl ether 106.61
    2,5,8-trioxanonane 185.52
    1-hexene 33.6
    2-isopropoxyethanol 98.32
    2,2,2-trifluoroethanol 84.33
    methyl butyrate 188.8

    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