5-ethyl-2(5H)-furanone

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  • Identifiers

    CAS number
    2407-43-4

    Molecular formula
    C6H8O2

    SMILES
    CCC1C=CC(=O)O1

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1754.0

  • Odor profile

    Caramellic 61.9%
    Sweet 60.93%
    Fruity 60.3%
    Coumarinic 59.8%
    Coconut 58.95%
    Spicy 54.68%
    Nutty 49.41%
    Buttery 42.18%
    Herbal 41.74%
    Lactonic 38.21%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.46 (neutral)

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point est.
    72.27 ˚C

  • Synonyms

    • 5-Ethyl-2(5H)-furanone
    • 2407-43-4
    • 5-Ethylfuran-2(5H)-one
    • 2-Hexen-4-olide
    • 2-ethyl-2H-furan-5-one
    • 2(5H)-FURANONE, 5-ETHYL-
    • 5-ethyl-2,5-dihydrofuran-2-one
    • 2-Hexen-1,4-lactone
    • 4-Hydroxyhex-2-enoic acid lactone
    • EINECS 219-304-1
    • UNII-285X4S123E
    • 4-Hydroxy-2-hexenoic acid lactone
    • 285X4S123E
    • 5-Ethyl-(5H)-furan-2-one
    • DTXSID60862924
    • 5-ETHYL-2(5H)-FURANONE, (+/-)-
    • 2-HEXENOIC ACID, 4-HYDROXY-, .GAMMA.-LACTONE
    • 2-ethyl-2H-uran-5-one
    • 2(5H)-Furanone,5-ethyl
    • SCHEMBL981332
    • DTXCID50811623
    • CHEBI:176777
    • CAA40743
    • NS00048001
    • EN300-178238
    • 2-HEXENOIC ACID, 4-HYDROXY-, GAMMA-LACTONE
    • Q27254271

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 258.52
    methanol 366.01
    isopropanol 171.5
    water 1.89
    ethyl acetate 154.08
    n-propanol 171.18
    acetone 232.98
    n-butanol 154.29
    acetonitrile 176.58
    DMF 501.42
    toluene 90.94
    isobutanol 124.14
    1,4-dioxane 297.0
    methyl acetate 177.52
    THF 341.39
    2-butanone 164.45
    n-pentanol 131.61
    sec-butanol 139.96
    n-hexane 10.27
    ethylene glycol 107.63
    NMP 370.46
    cyclohexane 10.59
    DMSO 522.83
    n-butyl acetate 126.99
    n-octanol 81.8
    chloroform 428.65
    n-propyl acetate 94.29
    acetic acid 264.4
    dichloromethane 431.6
    cyclohexanone 201.2
    propylene glycol 96.93
    isopropyl acetate 97.82
    DMAc 349.41
    2-ethoxyethanol 209.4
    isopentanol 151.3
    n-heptane 7.86
    ethyl formate 108.17
    1,2-dichloroethane 235.8
    n-hexanol 140.44
    2-methoxyethanol 363.81
    isobutyl acetate 66.41
    tetrachloromethane 45.41
    n-pentyl acetate 88.37
    transcutol 837.17
    n-heptanol 62.99
    ethylbenzene 53.94
    MIBK 111.15
    2-propoxyethanol 263.37
    tert-butanol 203.81
    MTBE 146.75
    2-butoxyethanol 134.15
    propionic acid 168.66
    o-xylene 66.6
    formic acid 136.75
    diethyl ether 122.04
    m-xylene 72.53
    p-xylene 67.35
    chlorobenzene 147.21
    dimethyl carbonate 83.97
    n-octane 5.27
    formamide 156.72
    cyclopentanone 268.23
    2-pentanone 142.29
    anisole 144.54
    cyclopentyl methyl ether 132.18
    gamma-butyrolactone 327.27
    1-methoxy-2-propanol 257.25
    pyridine 232.81
    3-pentanone 94.63
    furfural 341.91
    n-dodecane 7.47
    diethylene glycol 256.25
    diisopropyl ether 41.94
    tert-amyl alcohol 160.85
    acetylacetone 187.36
    n-hexadecane 8.52
    acetophenone 130.12
    methyl propionate 139.29
    isopentyl acetate 119.86
    trichloroethylene 418.97
    n-nonanol 70.85
    cyclohexanol 114.76
    benzyl alcohol 128.66
    2-ethylhexanol 75.95
    isooctanol 55.39
    dipropyl ether 60.52
    1,2-dichlorobenzene 137.84
    ethyl lactate 74.76
    propylene carbonate 168.96
    n-methylformamide 219.13
    2-pentanol 105.64
    n-pentane 10.12
    1-propoxy-2-propanol 159.26
    1-methoxy-2-propyl acetate 146.08
    2-(2-methoxypropoxy) propanol 193.75
    mesitylene 49.07
    ε-caprolactone 189.65
    p-cymene 38.34
    epichlorohydrin 346.76
    1,1,1-trichloroethane 172.63
    2-aminoethanol 155.5
    morpholine-4-carbaldehyde 367.1
    sulfolane 383.09
    2,2,4-trimethylpentane 10.53
    2-methyltetrahydrofuran 218.04
    n-hexyl acetate 144.3
    isooctane 9.58
    2-(2-butoxyethoxy)ethanol 258.23
    sec-butyl acetate 72.97
    tert-butyl acetate 124.12
    decalin 14.86
    glycerin 155.75
    diglyme 379.7
    acrylic acid 179.37
    isopropyl myristate 60.89
    n-butyric acid 176.0
    acetyl acetate 110.82
    di(2-ethylhexyl) phthalate 75.86
    ethyl propionate 86.24
    nitromethane 378.07
    1,2-diethoxyethane 171.82
    benzonitrile 163.15
    trioctyl phosphate 48.91
    1-bromopropane 133.57
    gamma-valerolactone 346.25
    n-decanol 55.03
    triethyl phosphate 54.18
    4-methyl-2-pentanol 74.98
    propionitrile 132.93
    vinylene carbonate 177.43
    1,1,2-trichlorotrifluoroethane 250.22
    DMS 130.67
    cumene 44.53
    2-octanol 49.65
    2-hexanone 107.08
    octyl acetate 78.5
    limonene 51.07
    1,2-dimethoxyethane 278.87
    ethyl orthosilicate 51.29
    tributyl phosphate 60.77
    diacetone alcohol 165.56
    N,N-dimethylaniline 100.9
    acrylonitrile 198.76
    aniline 134.08
    1,3-propanediol 177.24
    bromobenzene 156.62
    dibromomethane 271.01
    1,1,2,2-tetrachloroethane 309.75
    2-methyl-cyclohexyl acetate 80.08
    tetrabutyl urea 82.4
    diisobutyl methanol 47.85
    2-phenylethanol 130.75
    styrene 74.77
    dioctyl adipate 86.18
    dimethyl sulfate 161.92
    ethyl butyrate 85.99
    methyl lactate 99.88
    butyl lactate 85.85
    diethyl carbonate 69.3
    propanediol butyl ether 168.92
    triethyl orthoformate 63.42
    p-tert-butyltoluene 39.08
    methyl 4-tert-butylbenzoate 127.57
    morpholine 292.37
    tert-butylamine 121.58
    n-dodecanol 43.32
    dimethoxymethane 238.99
    ethylene carbonate 124.42
    cyrene 143.33
    2-ethoxyethyl acetate 144.24
    2-ethylhexyl acetate 89.81
    1,2,4-trichlorobenzene 168.34
    4-methylpyridine 237.85
    dibutyl ether 75.04
    2,6-dimethyl-4-heptanol 47.85
    DEF 182.9
    dimethyl isosorbide 235.38
    tetrachloroethylene 178.85
    eugenol 147.73
    triacetin 150.43
    span 80 144.89
    1,4-butanediol 93.18
    1,1-dichloroethane 217.91
    2-methyl-1-pentanol 127.99
    methyl formate 162.64
    2-methyl-1-butanol 134.16
    n-decane 10.3
    butyronitrile 137.25
    3,7-dimethyl-1-octanol 89.84
    1-chlorooctane 47.17
    1-chlorotetradecane 23.16
    n-nonane 9.0
    undecane 8.63
    tert-butylcyclohexane 15.35
    cyclooctane 4.98
    cyclopentanol 130.67
    tetrahydropyran 180.58
    tert-amyl methyl ether 106.76
    2,5,8-trioxanonane 304.84
    1-hexene 47.07
    2-isopropoxyethanol 154.55
    2,2,2-trifluoroethanol 91.94
    methyl butyrate 117.35

    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

Botanical

Name CAS Botanical Proportion
Guava fruit headspace (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.1%