2(3H)-Furanone, 5-ethyl-

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  • Identifiers

    CAS number
    2313-01-1

    Molecular formula
    C6H8O2

    SMILES
    CCC1=CCC(=O)O1

  • Odor profile

    Fragrance
    Coconut 55.43%
    Coumarinic 53.41%
    Caramellic 53.04%
    Spicy 50.63%
    Nutty 46.84%
    Lactonic 43.58%
    Buttery 40.5%
    Herbal 36.89%
    Sweet 36.37%
    Creamy 35.76%

     

    Flavor
    Caramel 43.75%
    Spice 30.25%
    Sweet 29.19%
    Minty 27.32%
    Fruity 25.5%
    Maple 24.78%
    Buttery 24.36%
    Fatty 23.58%
    Herbal 22.73%
    Coumarin 22.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.46 (weak base)

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    173°C

    Flash point

    • 70.86 ˚C est.

  • Synonyms

    • 2(3H)-Furanone, 5-ethyl-
    • 5-ethyl-3H-furan-2-one
    • 2313-01-1
    • 5-Ethyl-2(3H)-furanone
    • 5-Ethyl-2-furanone
    • D869KF4XDD
    • NSC-134771
    • UNII-D869KF4XDD
    • 5-ethyl-(3H)-furan-2-one
    • 3-Hexenoic acid, 4-hydroxy-, gamma-lactone
    • DTXSID20300094
    • 2(3H)-Furanone,5-ethyl-
    • NSC134771
    • SCHEMBL980433
    • DTXCID70251229
    • WWAGWEFPCZVKGN-UHFFFAOYSA-N
    • 3-Hexenoic acid, .gamma.-lactone
    • 5-Ethyldihydro-(3H)-furan-2-one
    • DS-003325
    • NS00126489

  • Applications

    2(3H)-Furanone, 5-ethyl- is used primarily as a fragrance ingredient and aroma compound, providing fruity or green notes in perfumery and flavor formulations. It is commonly evaluated for use in cosmetics and personal care products as a fragrance component, and may be incorporated into household items (air fresheners, cleaners) for scent. In industrial manufacturing it serves as an intermediate in the synthesis of more complex fragrance and flavor chemicals. It may also function as a reactive building block in the development of specialty polymers or coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 326.88
    methanol 446.95
    isopropanol 218.33
    water 5.87
    ethyl acetate 181.81
    n-propanol 222.68
    acetone 288.96
    n-butanol 190.6
    acetonitrile 293.2
    DMF 639.35
    toluene 117.74
    isobutanol 161.42
    1,4-dioxane 404.04
    methyl acetate 226.65
    THF 374.92
    2-butanone 209.02
    n-pentanol 153.52
    sec-butanol 182.17
    n-hexane 16.84
    ethylene glycol 135.87
    NMP 536.78
    cyclohexane 13.94
    DMSO 642.36
    n-butyl acetate 101.97
    n-octanol 77.92
    chloroform 607.26
    n-propyl acetate 93.36
    acetic acid 349.7
    dichloromethane 629.5
    cyclohexanone 257.15
    propylene glycol 117.75
    isopropyl acetate 106.35
    DMAc 518.79
    2-ethoxyethanol 280.47
    isopentanol 156.51
    n-heptane 8.95
    ethyl formate 136.05
    1,2-dichloroethane 284.42
    n-hexanol 114.31
    2-methoxyethanol 491.81
    isobutyl acetate 61.23
    tetrachloromethane 61.31
    n-pentyl acetate 87.4
    transcutol 782.86
    n-heptanol 56.8
    ethylbenzene 64.49
    MIBK 114.49
    2-propoxyethanol 264.37
    tert-butanol 226.76
    MTBE 166.93
    2-butoxyethanol 135.42
    propionic acid 216.26
    o-xylene 78.63
    formic acid 222.51
    diethyl ether 159.36
    m-xylene 81.43
    p-xylene 84.56
    chlorobenzene 187.83
    dimethyl carbonate 103.97
    n-octane 5.64
    formamide 281.12
    cyclopentanone 332.09
    2-pentanone 167.53
    anisole 184.52
    cyclopentyl methyl ether 159.51
    gamma-butyrolactone 395.27
    1-methoxy-2-propanol 315.31
    pyridine 319.17
    3-pentanone 123.29
    furfural 428.67
    n-dodecane 7.38
    diethylene glycol 268.6
    diisopropyl ether 44.78
    tert-amyl alcohol 189.18
    acetylacetone 235.47
    n-hexadecane 8.3
    acetophenone 154.69
    methyl propionate 171.77
    isopentyl acetate 98.09
    trichloroethylene 523.27
    n-nonanol 67.94
    cyclohexanol 139.59
    benzyl alcohol 154.87
    2-ethylhexanol 62.71
    isooctanol 49.66
    dipropyl ether 59.57
    1,2-dichlorobenzene 164.34
    ethyl lactate 73.69
    propylene carbonate 201.87
    n-methylformamide 335.25
    2-pentanol 117.92
    n-pentane 14.85
    1-propoxy-2-propanol 142.74
    1-methoxy-2-propyl acetate 134.07
    2-(2-methoxypropoxy) propanol 191.31
    mesitylene 48.82
    ε-caprolactone 235.49
    p-cymene 37.59
    epichlorohydrin 432.18
    1,1,1-trichloroethane 214.64
    2-aminoethanol 207.24
    morpholine-4-carbaldehyde 509.71
    sulfolane 477.43
    2,2,4-trimethylpentane 11.74
    2-methyltetrahydrofuran 273.52
    n-hexyl acetate 147.89
    isooctane 9.41
    2-(2-butoxyethoxy)ethanol 253.78
    sec-butyl acetate 71.29
    tert-butyl acetate 128.12
    decalin 17.51
    glycerin 179.94
    diglyme 384.75
    acrylic acid 225.19
    isopropyl myristate 62.01
    n-butyric acid 210.28
    acetyl acetate 133.87
    di(2-ethylhexyl) phthalate 76.61
    ethyl propionate 95.61
    nitromethane 577.81
    1,2-diethoxyethane 163.15
    benzonitrile 216.63
    trioctyl phosphate 46.34
    1-bromopropane 157.07
    gamma-valerolactone 460.95
    n-decanol 50.96
    triethyl phosphate 56.17
    4-methyl-2-pentanol 70.68
    propionitrile 191.66
    vinylene carbonate 208.75
    1,1,2-trichlorotrifluoroethane 302.12
    DMS 146.02
    cumene 49.62
    2-octanol 46.36
    2-hexanone 111.48
    octyl acetate 79.36
    limonene 49.51
    1,2-dimethoxyethane 350.5
    ethyl orthosilicate 52.99
    tributyl phosphate 62.0
    diacetone alcohol 168.93
    N,N-dimethylaniline 128.91
    acrylonitrile 291.44
    aniline 167.1
    1,3-propanediol 242.97
    bromobenzene 197.28
    dibromomethane 354.19
    1,1,2,2-tetrachloroethane 376.63
    2-methyl-cyclohexyl acetate 79.02
    tetrabutyl urea 86.36
    diisobutyl methanol 42.74
    2-phenylethanol 122.8
    styrene 90.57
    dioctyl adipate 92.01
    dimethyl sulfate 214.86
    ethyl butyrate 77.99
    methyl lactate 119.89
    butyl lactate 78.49
    diethyl carbonate 65.88
    propanediol butyl ether 159.01
    triethyl orthoformate 60.51
    p-tert-butyltoluene 38.52
    methyl 4-tert-butylbenzoate 140.35
    morpholine 409.96
    tert-butylamine 131.79
    n-dodecanol 39.43
    dimethoxymethane 294.35
    ethylene carbonate 151.0
    cyrene 161.31
    2-ethoxyethyl acetate 146.93
    2-ethylhexyl acetate 75.26
    1,2,4-trichlorobenzene 205.62
    4-methylpyridine 330.61
    dibutyl ether 75.32
    2,6-dimethyl-4-heptanol 42.74
    DEF 233.04
    dimethyl isosorbide 256.73
    tetrachloroethylene 223.96
    eugenol 154.93
    triacetin 161.56
    span 80 138.76
    1,4-butanediol 111.63
    1,1-dichloroethane 276.88
    2-methyl-1-pentanol 133.0
    methyl formate 230.17
    2-methyl-1-butanol 153.5
    n-decane 10.61
    butyronitrile 175.05
    3,7-dimethyl-1-octanol 77.48
    1-chlorooctane 45.52
    1-chlorotetradecane 21.87
    n-nonane 9.74
    undecane 8.62
    tert-butylcyclohexane 17.36
    cyclooctane 6.04
    cyclopentanol 172.83
    tetrahydropyran 227.8
    tert-amyl methyl ether 124.85
    2,5,8-trioxanonane 314.8
    1-hexene 58.85
    2-isopropoxyethanol 171.25
    2,2,2-trifluoroethanol 132.23
    methyl butyrate 123.42

    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