3-acetyl-5-n-butyldihydro-2(3H)-furanone

  • Identifiers

    Molecular formula
    C10H16O3

    SMILES
    CCCCC1CC(C(=O)O1)C(=O)C

  • Odor profile

    Fragrance
    Floral 74.7%
    Jasmin 54.77%
    Lactonic 47.37%
    Herbal 44.37%
    Sweet 40.85%
    Coconut 39.45%
    Caramellic 36.29%
    Celery 35.89%
    Spicy 35.36%
    Hay 33.74%

     

    Flavor
    Sweet 40.59%
    Coconut 38.64%
    Fruity 36.91%
    Caramel 36.69%
    Fatty 35.46%
    Oily 33.8%
    Herbal 30.92%
    Creamy 30.9%
    Buttery 29.78%
    Minty 28.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.11 (weak base)

    Molecular weight
    184.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point

    • 113.01 ˚C est.

  • Synonyms

    • DTXSID60885794
    • SCHEMBL6232228
    • 3-acetyl-5-butyl-dihydro-2 (3H)-furanone
    • 3-acetyl-5-n-butyldihydro-2(3H)-furanone
  • Applications

    3-acetyl-5-n-butyldihydro-2(3H)-furanone is primarily regarded as a fragrance ingredient and odorant in perfumery, contributing fruity and creamy notes; it may be used as a flavoring intermediate or aroma additive in the food-flavor sector; in cosmetics and personal care, it can serve as a scent component; in household products such as cleaners and air fresheners, it provides a distinctive aroma; in polymer and coatings formulations, it may be employed as a fragrance additive or as part of fragrance encapsulation systems; it can also be explored as an intermediate for organic synthesis toward fragrance- or pharmaceutical-related derivatives; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 971.42
    methanol 1432.54
    isopropanol 953.58
    water 1.35
    ethyl acetate 691.6
    n-propanol 714.13
    acetone 1428.45
    n-butanol 681.67
    acetonitrile 744.07
    DMF 1666.88
    toluene 277.45
    isobutanol 614.24
    1,4-dioxane 1132.23
    methyl acetate 618.57
    THF 1773.38
    2-butanone 828.13
    n-pentanol 436.07
    sec-butanol 690.92
    n-hexane 20.07
    ethylene glycol 262.2
    NMP 1400.09
    cyclohexane 38.67
    DMSO 1832.21
    n-butyl acetate 383.25
    n-octanol 139.75
    chloroform 2457.02
    n-propyl acetate 316.97
    acetic acid 1283.23
    dichloromethane 1752.76
    cyclohexanone 1200.51
    propylene glycol 428.37
    isopropyl acetate 467.27
    DMAc 1214.79
    2-ethoxyethanol 543.35
    isopentanol 658.97
    n-heptane 6.24
    ethyl formate 500.27
    1,2-dichloroethane 1077.78
    n-hexanol 367.96
    2-methoxyethanol 1138.3
    isobutyl acetate 238.27
    tetrachloromethane 184.5
    n-pentyl acetate 209.62
    transcutol 1772.4
    n-heptanol 121.3
    ethylbenzene 154.43
    MIBK 440.4
    2-propoxyethanol 656.5
    tert-butanol 988.81
    MTBE 571.8
    2-butoxyethanol 278.28
    propionic acid 746.81
    o-xylene 175.24
    formic acid 489.44
    diethyl ether 423.87
    m-xylene 225.35
    p-xylene 206.04
    chlorobenzene 603.73
    dimethyl carbonate 247.87
    n-octane 3.96
    formamide 551.39
    cyclopentanone 1393.28
    2-pentanone 677.69
    anisole 390.11
    cyclopentyl methyl ether 608.36
    gamma-butyrolactone 1562.48
    1-methoxy-2-propanol 883.47
    pyridine 893.73
    3-pentanone 394.74
    furfural 1187.05
    n-dodecane 5.57
    diethylene glycol 593.83
    diisopropyl ether 121.1
    tert-amyl alcohol 633.34
    acetylacetone 836.98
    n-hexadecane 6.77
    acetophenone 381.43
    methyl propionate 496.38
    isopentyl acetate 372.57
    trichloroethylene 2196.26
    n-nonanol 114.46
    cyclohexanol 605.45
    benzyl alcohol 395.8
    2-ethylhexanol 163.45
    isooctanol 105.73
    dipropyl ether 111.07
    1,2-dichlorobenzene 500.26
    ethyl lactate 188.93
    propylene carbonate 807.8
    n-methylformamide 751.3
    2-pentanol 412.07
    n-pentane 16.29
    1-propoxy-2-propanol 390.07
    1-methoxy-2-propyl acetate 420.32
    2-(2-methoxypropoxy) propanol 362.71
    mesitylene 124.57
    ε-caprolactone 925.65
    p-cymene 75.93
    epichlorohydrin 1605.9
    1,1,1-trichloroethane 977.73
    2-aminoethanol 479.57
    morpholine-4-carbaldehyde 1093.01
    sulfolane 1609.2
    2,2,4-trimethylpentane 18.01
    2-methyltetrahydrofuran 1083.98
    n-hexyl acetate 350.6
    isooctane 15.29
    2-(2-butoxyethoxy)ethanol 489.17
    sec-butyl acetate 252.67
    tert-butyl acetate 462.45
    decalin 29.72
    glycerin 552.59
    diglyme 769.16
    acrylic acid 692.36
    isopropyl myristate 112.98
    n-butyric acid 966.98
    acetyl acetate 504.4
    di(2-ethylhexyl) phthalate 148.72
    ethyl propionate 278.63
    nitromethane 1549.08
    1,2-diethoxyethane 351.93
    benzonitrile 545.1
    trioctyl phosphate 93.18
    1-bromopropane 484.34
    gamma-valerolactone 1501.19
    n-decanol 82.22
    triethyl phosphate 114.81
    4-methyl-2-pentanol 233.59
    propionitrile 526.22
    vinylene carbonate 717.52
    1,1,2-trichlorotrifluoroethane 1085.28
    DMS 338.91
    cumene 105.88
    2-octanol 92.94
    2-hexanone 388.88
    octyl acetate 148.56
    limonene 109.12
    1,2-dimethoxyethane 849.98
    ethyl orthosilicate 107.24
    tributyl phosphate 129.67
    diacetone alcohol 593.61
    N,N-dimethylaniline 236.69
    acrylonitrile 718.24
    aniline 521.84
    1,3-propanediol 705.19
    bromobenzene 604.2
    dibromomethane 1077.72
    1,1,2,2-tetrachloroethane 1845.69
    2-methyl-cyclohexyl acetate 205.09
    tetrabutyl urea 163.83
    diisobutyl methanol 96.4
    2-phenylethanol 324.35
    styrene 210.73
    dioctyl adipate 185.78
    dimethyl sulfate 455.38
    ethyl butyrate 197.91
    methyl lactate 343.93
    butyl lactate 224.63
    diethyl carbonate 154.37
    propanediol butyl ether 390.79
    triethyl orthoformate 139.81
    p-tert-butyltoluene 74.44
    methyl 4-tert-butylbenzoate 276.61
    morpholine 1396.59
    tert-butylamine 426.88
    n-dodecanol 60.85
    dimethoxymethane 632.6
    ethylene carbonate 587.32
    cyrene 354.38
    2-ethoxyethyl acetate 338.83
    2-ethylhexyl acetate 254.47
    1,2,4-trichlorobenzene 633.72
    4-methylpyridine 996.7
    dibutyl ether 133.22
    2,6-dimethyl-4-heptanol 96.4
    DEF 650.24
    dimethyl isosorbide 533.96
    tetrachloroethylene 971.88
    eugenol 295.11
    triacetin 338.43
    span 80 295.61
    1,4-butanediol 272.61
    1,1-dichloroethane 1228.89
    2-methyl-1-pentanol 425.88
    methyl formate 586.12
    2-methyl-1-butanol 555.69
    n-decane 8.86
    butyronitrile 642.07
    3,7-dimethyl-1-octanol 168.53
    1-chlorooctane 76.49
    1-chlorotetradecane 28.16
    n-nonane 7.83
    undecane 6.78
    tert-butylcyclohexane 27.26
    cyclooctane 9.85
    cyclopentanol 736.31
    tetrahydropyran 995.84
    tert-amyl methyl ether 344.56
    2,5,8-trioxanonane 526.7
    1-hexene 135.73
    2-isopropoxyethanol 385.77
    2,2,2-trifluoroethanol 414.07
    methyl butyrate 415.56

    Scent© AI

1 of 4
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