Butanoic acid, 2-ethyl-4-oxo-4H-pyran-3-yl ester

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  • Identifiers

    CAS number
    93805-72-2

    Molecular formula
    C11H14O4

    SMILES
    CCCC(=O)OC1=C(OC=CC1=O)CC

  • Odor profile

    Fragrance
    Fruity 97.38%
    Caramellic 77.28%
    Berry 64.12%
    Sweet 63.02%
    Strawberry 52.39%
    Tropical 46.37%
    Pineapple 38.88%
    Burnt 34.44%
    Buttery 33.31%
    Winey 29.93%

     

    Flavor
    Sweet 68.4%
    Fruity 64.72%
    Caramel 52.14%
    Creamy 36.7%
    Grape 28.83%
    Berry 26.69%
    Tobacco 24.69%
    Butter 23.53%
    Oily 23.15%
    Tropical 22.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.39 (neutral)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    270°C

    Flash point

    • 126.89 ˚C est.

  • Synonyms

    • 2-Ethyl-4-oxo-4H-pyran-3-yl butyrate
    • 93805-72-2
    • EINECS 298-555-9
    • (2-ethyl-4-oxopyran-3-yl) butanoate
    • Butanoic acid, 2-ethyl-4-oxo-4H-pyran-3-yl ester
    • BVE6BKQ6L2
    • DTXSID70239709
    • YVDBHRIILLVEBJ-UHFFFAOYSA-N
    • 2-Ethyl-4-oxo-4H-pyran-3-yl butanoate
    • NS00039648

  • Applications

    Butanoic acid, 2-ethyl-4-oxo-4H-pyran-3-yl ester (CAS 93805-72-2) is viewed as a fragrance-related intermediate and odorant across fragrance, flavor, and cosmetics domains, with potential use as a scent component or note enhancer in perfumery and personal care formulations. It may serve as an intermediate in the synthesis of other aroma compounds for industrial fragrance production and flavor applications, helping to expand the aroma palette and adjust scent longevity. In household products, it can be used as a fragrance additive in cleaning and personal care products, subject to local regulations and formulation limits. It may also act as a building block for further chemical synthesis in specialty polymers or coatings formulations, depending on compatibility and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 293.86
    methanol 428.12
    isopropanol 187.66
    water 0.29
    ethyl acetate 826.8
    n-propanol 233.47
    acetone 1290.35
    n-butanol 242.74
    acetonitrile 832.48
    DMF 2440.01
    toluene 604.87
    isobutanol 185.5
    1,4-dioxane 749.93
    methyl acetate 890.42
    THF 1055.38
    2-butanone 947.99
    n-pentanol 165.77
    sec-butanol 214.41
    n-hexane 11.18
    ethylene glycol 72.77
    NMP 1982.74
    cyclohexane 43.14
    DMSO 1667.19
    n-butyl acetate 531.96
    n-octanol 71.06
    chloroform 1579.07
    n-propyl acetate 411.56
    acetic acid 887.45
    dichloromethane 2191.01
    cyclohexanone 1421.97
    propylene glycol 73.54
    isopropyl acetate 406.13
    DMAc 1752.24
    2-ethoxyethanol 349.93
    isopentanol 249.58
    n-heptane 6.22
    ethyl formate 629.19
    1,2-dichloroethane 1625.22
    n-hexanol 154.39
    2-methoxyethanol 718.85
    isobutyl acetate 211.25
    tetrachloromethane 110.77
    n-pentyl acetate 236.99
    transcutol 858.43
    n-heptanol 66.99
    ethylbenzene 201.36
    MIBK 322.62
    2-propoxyethanol 368.57
    tert-butanol 265.76
    MTBE 350.07
    2-butoxyethanol 200.42
    propionic acid 436.42
    o-xylene 279.83
    formic acid 289.66
    diethyl ether 342.52
    m-xylene 268.36
    p-xylene 269.89
    chlorobenzene 891.47
    dimethyl carbonate 416.91
    n-octane 4.34
    formamide 673.52
    cyclopentanone 1463.17
    2-pentanone 667.95
    anisole 427.77
    cyclopentyl methyl ether 503.76
    gamma-butyrolactone 1725.38
    1-methoxy-2-propanol 444.49
    pyridine 1653.12
    3-pentanone 557.78
    furfural 1791.15
    n-dodecane 5.44
    diethylene glycol 294.61
    diisopropyl ether 81.1
    tert-amyl alcohol 288.86
    acetylacetone 928.79
    n-hexadecane 6.62
    acetophenone 502.73
    methyl propionate 744.52
    isopentyl acetate 423.92
    trichloroethylene 3167.34
    n-nonanol 65.25
    cyclohexanol 350.32
    benzyl alcohol 418.54
    2-ethylhexanol 112.55
    isooctanol 60.63
    dipropyl ether 99.15
    1,2-dichlorobenzene 646.97
    ethyl lactate 163.81
    propylene carbonate 872.75
    n-methylformamide 931.63
    2-pentanol 153.56
    n-pentane 11.92
    1-propoxy-2-propanol 235.15
    1-methoxy-2-propyl acetate 407.34
    2-(2-methoxypropoxy) propanol 202.31
    mesitylene 126.04
    ε-caprolactone 999.24
    p-cymene 92.01
    epichlorohydrin 2055.43
    1,1,1-trichloroethane 926.68
    2-aminoethanol 144.21
    morpholine-4-carbaldehyde 1230.4
    sulfolane 1737.65
    2,2,4-trimethylpentane 12.98
    2-methyltetrahydrofuran 757.07
    n-hexyl acetate 303.7
    isooctane 7.71
    2-(2-butoxyethoxy)ethanol 272.37
    sec-butyl acetate 249.21
    tert-butyl acetate 368.17
    decalin 27.19
    glycerin 141.19
    diglyme 626.78
    acrylic acid 533.02
    isopropyl myristate 89.14
    n-butyric acid 641.56
    acetyl acetate 559.21
    di(2-ethylhexyl) phthalate 112.61
    ethyl propionate 371.77
    nitromethane 2029.92
    1,2-diethoxyethane 316.56
    benzonitrile 694.0
    trioctyl phosphate 73.11
    1-bromopropane 479.38
    gamma-valerolactone 1735.07
    n-decanol 48.48
    triethyl phosphate 134.84
    4-methyl-2-pentanol 90.76
    propionitrile 538.63
    vinylene carbonate 940.19
    1,1,2-trichlorotrifluoroethane 923.72
    DMS 377.95
    cumene 107.42
    2-octanol 53.16
    2-hexanone 367.05
    octyl acetate 129.32
    limonene 128.69
    1,2-dimethoxyethane 726.09
    ethyl orthosilicate 112.14
    tributyl phosphate 103.48
    diacetone alcohol 371.75
    N,N-dimethylaniline 242.31
    acrylonitrile 939.49
    aniline 641.27
    1,3-propanediol 268.32
    bromobenzene 952.38
    dibromomethane 1134.23
    1,1,2,2-tetrachloroethane 1941.09
    2-methyl-cyclohexyl acetate 214.24
    tetrabutyl urea 141.25
    diisobutyl methanol 64.47
    2-phenylethanol 310.69
    styrene 315.24
    dioctyl adipate 154.24
    dimethyl sulfate 609.41
    ethyl butyrate 284.65
    methyl lactate 285.23
    butyl lactate 169.93
    diethyl carbonate 224.16
    propanediol butyl ether 167.17
    triethyl orthoformate 162.93
    p-tert-butyltoluene 81.4
    methyl 4-tert-butylbenzoate 242.66
    morpholine 943.59
    tert-butylamine 130.05
    n-dodecanol 36.83
    dimethoxymethane 808.21
    ethylene carbonate 731.61
    cyrene 266.29
    2-ethoxyethyl acetate 360.19
    2-ethylhexyl acetate 313.06
    1,2,4-trichlorobenzene 767.51
    4-methylpyridine 1646.21
    dibutyl ether 105.76
    2,6-dimethyl-4-heptanol 64.47
    DEF 977.36
    dimethyl isosorbide 391.04
    tetrachloroethylene 1151.66
    eugenol 242.51
    triacetin 266.47
    span 80 156.65
    1,4-butanediol 99.87
    1,1-dichloroethane 1099.5
    2-methyl-1-pentanol 199.43
    methyl formate 836.72
    2-methyl-1-butanol 250.64
    n-decane 7.63
    butyronitrile 512.3
    3,7-dimethyl-1-octanol 89.85
    1-chlorooctane 57.82
    1-chlorotetradecane 25.3
    n-nonane 6.5
    undecane 6.27
    tert-butylcyclohexane 18.78
    cyclooctane 10.75
    cyclopentanol 343.91
    tetrahydropyran 729.97
    tert-amyl methyl ether 268.39
    2,5,8-trioxanonane 360.16
    1-hexene 80.68
    2-isopropoxyethanol 225.92
    2,2,2-trifluoroethanol 273.7
    methyl butyrate 561.95

    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