3-Butyldihydrofuran-2(3H)-one

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  • Identifiers

    CAS number
    19340-56-8

    Molecular formula
    C8H14O2

    SMILES
    CCCCC1CCOC1=O

  • Odor profile

    Fragrance
    Coconut 66.34%
    Fruity 62.45%
    Sweet 62.1%
    Lactonic 58.7%
    Green 54.5%
    Floral 52.67%
    Creamy 51.82%
    Fatty 50.32%
    Jasmin 44.82%
    Coumarinic 44.7%

     

    Flavor
    Coconut 73.45%
    Sweet 67.16%
    Creamy 66.86%
    Peach 62.97%
    Fatty 60.42%
    Waxy 57.05%
    Oily 54.84%
    Fruity 51.94%
    Buttery 45.5%
    Tonka 43.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.81 (neutral)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point

    • 89.99 ˚C est.

  • Synonyms

    • 3-Butyldihydrofuran-2(3H)-one
    • 3-butyloxolan-2-one
    • 19340-56-8
    • EINECS 242-973-6
    • 3-Butyltetrahydrofuran-2-one
    • gama-octalactone
    • CHEMBL455439
    • SCHEMBL11599928
    • DTXSID90941019
    • 2(3H)-Furanone, 3-butyldihydro-
    • 3-Butyldihydro-2(3H)-furanone #
    • .alpha.-Butyl-.gamma.-butyrolactone
    • NS00052431

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1758.09
    methanol 1545.01
    isopropanol 1591.46
    water 1.51
    ethyl acetate 1246.1
    n-propanol 1247.88
    acetone 1706.11
    n-butanol 1092.26
    acetonitrile 1732.23
    DMF 1744.89
    toluene 509.06
    isobutanol 995.36
    1,4-dioxane 1555.55
    methyl acetate 1119.78
    THF 1819.86
    2-butanone 1325.81
    n-pentanol 730.13
    sec-butanol 1120.07
    n-hexane 55.18
    ethylene glycol 271.26
    NMP 1274.86
    cyclohexane 136.1
    DMSO 1723.08
    n-butyl acetate 1061.23
    n-octanol 414.8
    chloroform 4690.86
    n-propyl acetate 737.08
    acetic acid 1557.16
    dichloromethane 4553.38
    cyclohexanone 1781.3
    propylene glycol 416.89
    isopropyl acetate 725.68
    DMAc 997.17
    2-ethoxyethanol 765.47
    isopentanol 955.53
    n-heptane 49.07
    ethyl formate 1027.94
    1,2-dichloroethane 1900.58
    n-hexanol 773.04
    2-methoxyethanol 1212.99
    isobutyl acetate 435.42
    tetrachloromethane 503.0
    n-pentyl acetate 595.31
    transcutol 2301.87
    n-heptanol 359.26
    ethylbenzene 280.19
    MIBK 572.09
    2-propoxyethanol 1059.55
    tert-butanol 1413.37
    MTBE 865.03
    2-butoxyethanol 610.21
    propionic acid 1121.44
    o-xylene 331.12
    formic acid 400.87
    diethyl ether 747.22
    m-xylene 348.69
    p-xylene 400.73
    chlorobenzene 1094.82
    dimethyl carbonate 320.52
    n-octane 27.17
    formamide 616.62
    cyclopentanone 1758.95
    2-pentanone 1007.55
    anisole 633.73
    cyclopentyl methyl ether 701.35
    gamma-butyrolactone 2099.36
    1-methoxy-2-propanol 996.82
    pyridine 1866.43
    3-pentanone 581.74
    furfural 1822.27
    n-dodecane 32.46
    diethylene glycol 649.06
    diisopropyl ether 222.73
    tert-amyl alcohol 949.9
    acetylacetone 1071.65
    n-hexadecane 37.73
    acetophenone 631.57
    methyl propionate 765.58
    isopentyl acetate 874.82
    trichloroethylene 3750.94
    n-nonanol 333.7
    cyclohexanol 888.7
    benzyl alcohol 623.05
    2-ethylhexanol 425.31
    isooctanol 294.01
    dipropyl ether 358.1
    1,2-dichlorobenzene 910.42
    ethyl lactate 298.28
    propylene carbonate 1360.67
    n-methylformamide 1123.43
    2-pentanol 701.2
    n-pentane 65.07
    1-propoxy-2-propanol 766.7
    1-methoxy-2-propyl acetate 721.9
    2-(2-methoxypropoxy) propanol 557.71
    mesitylene 225.92
    ε-caprolactone 1512.92
    p-cymene 213.35
    epichlorohydrin 2184.23
    1,1,1-trichloroethane 1883.03
    2-aminoethanol 625.45
    morpholine-4-carbaldehyde 1332.38
    sulfolane 1888.93
    2,2,4-trimethylpentane 49.21
    2-methyltetrahydrofuran 1393.94
    n-hexyl acetate 838.67
    isooctane 47.39
    2-(2-butoxyethoxy)ethanol 753.06
    sec-butyl acetate 441.25
    tert-butyl acetate 639.76
    decalin 71.37
    glycerin 437.33
    diglyme 1258.72
    acrylic acid 936.37
    isopropyl myristate 280.02
    n-butyric acid 1635.92
    acetyl acetate 718.9
    di(2-ethylhexyl) phthalate 292.78
    ethyl propionate 531.28
    nitromethane 2151.16
    1,2-diethoxyethane 721.45
    benzonitrile 1243.06
    trioctyl phosphate 207.63
    1-bromopropane 1114.98
    gamma-valerolactone 1942.95
    n-decanol 236.05
    triethyl phosphate 232.91
    4-methyl-2-pentanol 393.84
    propionitrile 1221.3
    vinylene carbonate 1306.33
    1,1,2-trichlorotrifluoroethane 1292.31
    DMS 531.79
    cumene 200.37
    2-octanol 275.18
    2-hexanone 666.81
    octyl acetate 367.87
    limonene 315.16
    1,2-dimethoxyethane 1166.88
    ethyl orthosilicate 204.84
    tributyl phosphate 260.4
    diacetone alcohol 680.29
    N,N-dimethylaniline 371.34
    acrylonitrile 1689.27
    aniline 772.19
    1,3-propanediol 854.39
    bromobenzene 1208.71
    dibromomethane 2774.89
    1,1,2,2-tetrachloroethane 2635.03
    2-methyl-cyclohexyl acetate 426.62
    tetrabutyl urea 307.84
    diisobutyl methanol 247.59
    2-phenylethanol 596.81
    styrene 400.64
    dioctyl adipate 410.67
    dimethyl sulfate 461.32
    ethyl butyrate 623.99
    methyl lactate 382.17
    butyl lactate 433.03
    diethyl carbonate 415.37
    propanediol butyl ether 618.31
    triethyl orthoformate 355.26
    p-tert-butyltoluene 195.09
    methyl 4-tert-butylbenzoate 521.16
    morpholine 1819.23
    tert-butylamine 856.81
    n-dodecanol 181.12
    dimethoxymethane 768.88
    ethylene carbonate 1109.97
    cyrene 439.57
    2-ethoxyethyl acetate 686.95
    2-ethylhexyl acetate 597.86
    1,2,4-trichlorobenzene 1054.43
    4-methylpyridine 1659.77
    dibutyl ether 400.1
    2,6-dimethyl-4-heptanol 247.59
    DEF 976.55
    dimethyl isosorbide 803.84
    tetrachloroethylene 1564.82
    eugenol 528.12
    triacetin 649.22
    span 80 540.59
    1,4-butanediol 371.48
    1,1-dichloroethane 2361.07
    2-methyl-1-pentanol 638.72
    methyl formate 796.52
    2-methyl-1-butanol 777.05
    n-decane 52.19
    butyronitrile 1428.05
    3,7-dimethyl-1-octanol 398.89
    1-chlorooctane 258.41
    1-chlorotetradecane 103.77
    n-nonane 48.07
    undecane 39.39
    tert-butylcyclohexane 68.2
    cyclooctane 36.4
    cyclopentanol 1026.28
    tetrahydropyran 1482.56
    tert-amyl methyl ether 489.83
    2,5,8-trioxanonane 837.01
    1-hexene 312.36
    2-isopropoxyethanol 575.77
    2,2,2-trifluoroethanol 401.93
    methyl butyrate 832.54

    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