5-hexylfuran-2(5H)-one

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  • Identifiers

    CAS number
    2518-53-8

    Molecular formula
    C10H16O2

    SMILES
    CCCCCCC1C=CC(=O)O1

  • Odor profile

    Fragrance
    Lactonic 62.21%
    Coconut 60.82%
    Fatty 58.32%
    Fruity 57.0%
    Buttery 54.17%
    Dairy 52.65%
    Peach 51.29%
    Milky 50.02%
    Creamy 48.87%
    Waxy 39.32%

     

    Flavor
    Herbal 47.38%
    Fatty 43.43%
    Oily 39.75%
    Waxy 38.17%
    Fresh 36.51%
    Coconut 36.06%
    Creamy 31.61%
    Celery 30.0%
    Peach 29.73%
    Fat 27.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.82 (neutral)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    287°C

    Flash point

    • 109.23 ˚C est.

  • Synonyms

    • 5-Hexylfuran-2(5H)-one
    • 2518-53-8
    • 2-hexyl-2H-furan-5-one
    • EINECS 219-742-3
    • 2(5H)-Furanone, 5-hexyl-
    • 2-decen-1,4-lactone
    • DTXSID50862978
    • dec-2-en-4-olide
    • 5-hexyl-2(5H)-furanone
    • SCHEMBL1895638
    • DTXCID50811668
    • DKHZWQLGZWVFFH-UHFFFAOYSA-N
    • NS00045952
    • 219-742-3

  • Applications

    5-hexylfuran-2(5H)-one (CAS 2518-53-8) is primarily used as a fragrance ingredient and aroma compound in perfumery and flavor applications, offering fruity and creamy notes characteristic of gamma-lactone derivatives. It is commonly evaluated as a synthetic building block in fragrance chemistry to access related odorants for cosmetics and personal care products, coatings and inks, and household products. In industrial manufacturing, it may serve as an intermediate for the synthesis of other aroma chemicals and specialty materials, while continuing to be used as a fragrance additive in various consumer formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1980.06
    methanol 2025.86
    isopropanol 1405.45
    water 0.05
    ethyl acetate 2089.89
    n-propanol 1403.04
    acetone 3386.77
    n-butanol 1281.99
    acetonitrile 1526.45
    DMF 3258.24
    toluene 774.82
    isobutanol 1073.21
    1,4-dioxane 1970.37
    methyl acetate 1525.25
    THF 3388.09
    2-butanone 2352.93
    n-pentanol 874.91
    sec-butanol 1141.65
    n-hexane 159.39
    ethylene glycol 240.55
    NMP 2099.12
    cyclohexane 144.14
    DMSO 4276.62
    n-butyl acetate 1386.81
    n-octanol 261.8
    chloroform 3460.07
    n-propyl acetate 1181.44
    acetic acid 1056.41
    dichloromethane 3557.25
    cyclohexanone 2351.6
    propylene glycol 488.72
    isopropyl acetate 1373.02
    DMAc 2038.31
    2-ethoxyethanol 1117.32
    isopentanol 1180.83
    n-heptane 35.6
    ethyl formate 793.63
    1,2-dichloroethane 2844.98
    n-hexanol 859.57
    2-methoxyethanol 1981.5
    isobutyl acetate 743.46
    tetrachloromethane 326.52
    n-pentyl acetate 597.46
    transcutol 4979.27
    n-heptanol 254.9
    ethylbenzene 352.93
    MIBK 1132.97
    2-propoxyethanol 1447.06
    tert-butanol 1528.11
    MTBE 2124.76
    2-butoxyethanol 610.6
    propionic acid 983.78
    o-xylene 366.13
    formic acid 264.39
    diethyl ether 1977.13
    m-xylene 511.64
    p-xylene 398.53
    chlorobenzene 1090.0
    dimethyl carbonate 522.58
    n-octane 16.64
    formamide 536.59
    cyclopentanone 2797.58
    2-pentanone 2120.59
    anisole 911.05
    cyclopentyl methyl ether 1714.84
    gamma-butyrolactone 2534.57
    1-methoxy-2-propanol 1770.29
    pyridine 1987.91
    3-pentanone 1287.76
    furfural 1670.55
    n-dodecane 15.04
    diethylene glycol 940.33
    diisopropyl ether 521.34
    tert-amyl alcohol 1261.97
    acetylacetone 1982.05
    n-hexadecane 18.49
    acetophenone 742.77
    methyl propionate 1614.19
    isopentyl acetate 1213.23
    trichloroethylene 4169.77
    n-nonanol 227.05
    cyclohexanol 991.74
    benzyl alcohol 658.32
    2-ethylhexanol 458.09
    isooctanol 228.92
    dipropyl ether 549.55
    1,2-dichlorobenzene 895.22
    ethyl lactate 398.26
    propylene carbonate 1184.56
    n-methylformamide 1294.24
    2-pentanol 907.46
    n-pentane 103.02
    1-propoxy-2-propanol 1021.87
    1-methoxy-2-propyl acetate 1260.9
    2-(2-methoxypropoxy) propanol 716.88
    mesitylene 293.74
    ε-caprolactone 1755.71
    p-cymene 166.41
    epichlorohydrin 3169.67
    1,1,1-trichloroethane 1850.09
    2-aminoethanol 683.58
    morpholine-4-carbaldehyde 1740.02
    sulfolane 3159.96
    2,2,4-trimethylpentane 63.93
    2-methyltetrahydrofuran 2681.71
    n-hexyl acetate 845.54
    isooctane 60.04
    2-(2-butoxyethoxy)ethanol 1073.35
    sec-butyl acetate 847.31
    tert-butyl acetate 1379.31
    decalin 93.09
    glycerin 535.06
    diglyme 1707.22
    acrylic acid 719.79
    isopropyl myristate 271.97
    n-butyric acid 1511.97
    acetyl acetate 890.38
    di(2-ethylhexyl) phthalate 268.74
    ethyl propionate 958.95
    nitromethane 2008.7
    1,2-diethoxyethane 1454.28
    benzonitrile 888.4
    trioctyl phosphate 173.77
    1-bromopropane 1711.78
    gamma-valerolactone 2563.82
    n-decanol 165.63
    triethyl phosphate 252.1
    4-methyl-2-pentanol 499.64
    propionitrile 1200.24
    vinylene carbonate 982.35
    1,1,2-trichlorotrifluoroethane 1697.6
    DMS 755.43
    cumene 230.32
    2-octanol 195.88
    2-hexanone 1268.93
    octyl acetate 335.63
    limonene 268.96
    1,2-dimethoxyethane 1833.67
    ethyl orthosilicate 250.62
    tributyl phosphate 268.97
    diacetone alcohol 1271.67
    N,N-dimethylaniline 484.86
    acrylonitrile 1394.76
    aniline 1023.71
    1,3-propanediol 921.27
    bromobenzene 1283.39
    dibromomethane 2424.33
    1,1,2,2-tetrachloroethane 3218.1
    2-methyl-cyclohexyl acetate 491.52
    tetrabutyl urea 325.56
    diisobutyl methanol 246.64
    2-phenylethanol 606.09
    styrene 558.8
    dioctyl adipate 419.62
    dimethyl sulfate 852.95
    ethyl butyrate 669.45
    methyl lactate 614.37
    butyl lactate 479.76
    diethyl carbonate 416.15
    propanediol butyl ether 708.6
    triethyl orthoformate 402.26
    p-tert-butyltoluene 175.17
    methyl 4-tert-butylbenzoate 493.13
    morpholine 2935.61
    tert-butylamine 960.53
    n-dodecanol 122.57
    dimethoxymethane 1837.7
    ethylene carbonate 848.45
    cyrene 531.21
    2-ethoxyethyl acetate 972.39
    2-ethylhexyl acetate 857.6
    1,2,4-trichlorobenzene 1083.43
    4-methylpyridine 2088.93
    dibutyl ether 525.42
    2,6-dimethyl-4-heptanol 246.64
    DEF 2024.43
    dimethyl isosorbide 1039.98
    tetrachloroethylene 1646.27
    eugenol 519.19
    triacetin 756.68
    span 80 561.44
    1,4-butanediol 349.12
    1,1-dichloroethane 2608.76
    2-methyl-1-pentanol 855.71
    methyl formate 749.42
    2-methyl-1-butanol 1063.65
    n-decane 26.43
    butyronitrile 1397.08
    3,7-dimethyl-1-octanol 376.76
    1-chlorooctane 195.67
    1-chlorotetradecane 73.81
    n-nonane 25.83
    undecane 19.26
    tert-butylcyclohexane 93.35
    cyclooctane 43.57
    cyclopentanol 1054.05
    tetrahydropyran 2528.25
    tert-amyl methyl ether 1215.39
    2,5,8-trioxanonane 1099.04
    1-hexene 767.04
    2-isopropoxyethanol 875.49
    2,2,2-trifluoroethanol 274.61
    methyl butyrate 1302.94

    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