5-Pentyl-3H-furan-2-one

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  • Identifiers

    CAS number
    51352-68-2

    Molecular formula
    C9H14O2

    SMILES
    CCCCCC1=CCC(=O)O1

  • Odor profile

    Fragrance
    Fruity 80.74%
    Coconut 59.72%
    Fatty 57.73%
    Lactonic 57.7%
    Dairy 53.6%
    Peach 52.52%
    Buttery 51.32%
    Creamy 49.79%
    Milky 47.15%
    Tropical 44.68%

     

    Flavor
    Coconut 57.11%
    Fatty 54.53%
    Creamy 46.43%
    Oily 44.78%
    Waxy 43.49%
    Peach 40.62%
    Sweet 38.48%
    Fruity 37.21%
    Fresh 36.02%
    Dairy 34.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.51 (weak base)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    226°C

    Flash point

    • 100.27 ˚C est.

    Solubility expt.

    • Sparingly soluble in water; soluble in non-polar solvents
    • Sparingly soluble (in ethanol)

  • Synonyms

    • 5-pentyl-3H-furan-2-one
    • 51352-68-2
    • FEMA no. 4323
    • 2(3H)-Furanone, 5-pentyl-
    • 5-Amyl-3H-furan-2-one
    • 5-(1-Pentyl)-3H-furan-2-one
    • 4-Hydroxy-3-nonenoic acid lactone
    • MDN0631PBW
    • 5-Pentyl-3H-furan-2-one [FHFI]
    • UNII-MDN0631PBW
    • 5-Pentyl-2(3H)-furanone
    • DTXSID60199348
    • 3-nonen-4-olide
    • 5-pentylfuran-2(3H)-one
    • 5-pentyl-3H-uran-2-one
    • SCHEMBL704205
    • DTXCID90121839
    • CHEBI:195886
    • PGAMJXWVUGDLRA-UHFFFAOYSA-N
    • NS00124329
    • Q27283933
    • 81469-36-5

  • Applications

    5-Pentyl-3H-furan-2-one (CAS 51352-68-2) is primarily used as an aroma chemical, functioning as an odorant in perfumery and cosmetic/personal care products, and it may act as a fixative to help retain fragrance. It may also be evaluated for flavor/aroma applications in food and beverage formulations under applicable regulations. Additionally, it is used as an intermediate in the synthesis of other aroma compounds for industrial fragrance programs. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1946.53
    methanol 2216.85
    isopropanol 1266.93
    water 0.38
    ethyl acetate 1387.36
    n-propanol 1231.45
    acetone 2593.06
    n-butanol 1072.32
    acetonitrile 1238.73
    DMF 2815.06
    toluene 459.84
    isobutanol 876.96
    1,4-dioxane 1855.89
    methyl acetate 1015.01
    THF 2508.52
    2-butanone 1356.27
    n-pentanol 719.2
    sec-butanol 895.74
    n-hexane 69.51
    ethylene glycol 391.59
    NMP 1725.94
    cyclohexane 89.8
    DMSO 3167.75
    n-butyl acetate 796.37
    n-octanol 248.06
    chloroform 2654.06
    n-propyl acetate 610.44
    acetic acid 1498.65
    dichloromethane 2363.54
    cyclohexanone 1579.08
    propylene glycol 590.75
    isopropyl acetate 863.95
    DMAc 1631.44
    2-ethoxyethanol 896.4
    isopentanol 967.37
    n-heptane 22.58
    ethyl formate 631.15
    1,2-dichloroethane 1533.81
    n-hexanol 664.66
    2-methoxyethanol 1706.03
    isobutyl acetate 413.87
    tetrachloromethane 220.91
    n-pentyl acetate 385.72
    transcutol 4026.22
    n-heptanol 213.57
    ethylbenzene 217.26
    MIBK 664.82
    2-propoxyethanol 1140.56
    tert-butanol 1384.86
    MTBE 1200.8
    2-butoxyethanol 485.02
    propionic acid 970.59
    o-xylene 232.85
    formic acid 399.24
    diethyl ether 1168.6
    m-xylene 321.99
    p-xylene 267.35
    chlorobenzene 720.33
    dimethyl carbonate 382.1
    n-octane 11.75
    formamide 621.21
    cyclopentanone 1777.04
    2-pentanone 1231.96
    anisole 615.86
    cyclopentyl methyl ether 1034.63
    gamma-butyrolactone 1875.9
    1-methoxy-2-propanol 1381.18
    pyridine 1455.89
    3-pentanone 690.58
    furfural 1312.01
    n-dodecane 14.25
    diethylene glycol 884.11
    diisopropyl ether 288.99
    tert-amyl alcohol 951.38
    acetylacetone 1427.65
    n-hexadecane 17.04
    acetophenone 503.87
    methyl propionate 976.7
    isopentyl acetate 699.66
    trichloroethylene 2734.5
    n-nonanol 206.91
    cyclohexanol 809.08
    benzyl alcohol 516.02
    2-ethylhexanol 317.35
    isooctanol 183.14
    dipropyl ether 315.57
    1,2-dichlorobenzene 575.6
    ethyl lactate 267.46
    propylene carbonate 887.46
    n-methylformamide 1118.58
    2-pentanol 658.7
    n-pentane 51.99
    1-propoxy-2-propanol 727.72
    1-methoxy-2-propyl acetate 778.08
    2-(2-methoxypropoxy) propanol 611.3
    mesitylene 181.88
    ε-caprolactone 1202.85
    p-cymene 112.6
    epichlorohydrin 2057.41
    1,1,1-trichloroethane 1182.72
    2-aminoethanol 796.18
    morpholine-4-carbaldehyde 1530.57
    sulfolane 1956.47
    2,2,4-trimethylpentane 38.47
    2-methyltetrahydrofuran 1705.96
    n-hexyl acetate 648.29
    isooctane 35.12
    2-(2-butoxyethoxy)ethanol 897.7
    sec-butyl acetate 446.3
    tert-butyl acetate 853.3
    decalin 58.46
    glycerin 679.19
    diglyme 1343.73
    acrylic acid 801.54
    isopropyl myristate 204.15
    n-butyric acid 1312.34
    acetyl acetate 754.35
    di(2-ethylhexyl) phthalate 230.72
    ethyl propionate 523.31
    nitromethane 2024.08
    1,2-diethoxyethane 916.33
    benzonitrile 667.39
    trioctyl phosphate 144.04
    1-bromopropane 908.88
    gamma-valerolactone 1997.23
    n-decanol 149.41
    triethyl phosphate 173.77
    4-methyl-2-pentanol 361.88
    propionitrile 852.17
    vinylene carbonate 802.65
    1,1,2-trichlorotrifluoroethane 1332.15
    DMS 550.66
    cumene 147.07
    2-octanol 159.45
    2-hexanone 694.91
    octyl acetate 263.57
    limonene 184.84
    1,2-dimethoxyethane 1395.74
    ethyl orthosilicate 170.94
    tributyl phosphate 202.4
    diacetone alcohol 891.51
    N,N-dimethylaniline 355.89
    acrylonitrile 1075.49
    aniline 762.06
    1,3-propanediol 926.03
    bromobenzene 792.23
    dibromomethane 1521.53
    1,1,2,2-tetrachloroethane 2111.11
    2-methyl-cyclohexyl acetate 334.07
    tetrabutyl urea 253.69
    diisobutyl methanol 170.7
    2-phenylethanol 491.24
    styrene 345.6
    dioctyl adipate 325.33
    dimethyl sulfate 598.35
    ethyl butyrate 386.61
    methyl lactate 467.27
    butyl lactate 329.9
    diethyl carbonate 263.36
    propanediol butyl ether 654.34
    triethyl orthoformate 254.94
    p-tert-butyltoluene 117.61
    methyl 4-tert-butylbenzoate 398.66
    morpholine 2385.51
    tert-butylamine 762.75
    n-dodecanol 111.93
    dimethoxymethane 1255.85
    ethylene carbonate 693.25
    cyrene 436.2
    2-ethoxyethyl acetate 633.37
    2-ethylhexyl acetate 480.87
    1,2,4-trichlorobenzene 717.4
    4-methylpyridine 1473.15
    dibutyl ether 345.88
    2,6-dimethyl-4-heptanol 170.7
    DEF 1196.43
    dimethyl isosorbide 803.42
    tetrachloroethylene 1159.81
    eugenol 433.56
    triacetin 598.21
    span 80 513.45
    1,4-butanediol 381.44
    1,1-dichloroethane 1637.5
    2-methyl-1-pentanol 631.4
    methyl formate 681.13
    2-methyl-1-butanol 806.83
    n-decane 23.16
    butyronitrile 1004.3
    3,7-dimethyl-1-octanol 287.99
    1-chlorooctane 149.9
    1-chlorotetradecane 60.22
    n-nonane 20.68
    undecane 17.66
    tert-butylcyclohexane 58.58
    cyclooctane 23.84
    cyclopentanol 855.76
    tetrahydropyran 1806.55
    tert-amyl methyl ether 648.78
    2,5,8-trioxanonane 972.01
    1-hexene 359.95
    2-isopropoxyethanol 652.62
    2,2,2-trifluoroethanol 350.18
    methyl butyrate 707.66

    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