5-Octyl-2(5H)-furanone

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  • Identifiers

    CAS number
    17756-68-2

    Molecular formula
    C12H20O2

    SMILES
    CCCCCCCCC1C=CC(=O)O1

    Safety labels

  • Odor profile

    Fragrance
    Fatty 69.33%
    Lactonic 57.04%
    Dairy 54.72%
    Peach 54.43%
    Buttery 53.13%
    Coconut 52.53%
    Milky 51.3%
    Fruity 51.13%
    Creamy 49.54%
    Waxy 46.94%

     

    Flavor
    Fatty 51.71%
    Waxy 49.17%
    Oily 43.23%
    Creamy 40.33%
    Herbal 38.76%
    Coconut 38.07%
    Peach 36.9%
    Fruity 36.87%
    Fresh 35.46%
    Fat 30.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.69 (neutral)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 129.85 ˚C est.

  • Synonyms

    • 5-Octylfuran-2(5H)-one
    • 17756-68-2
    • 5-octyl-2(5H)-furanone
    • DTXSID50938960
    • RefChem:1073192
    • DTXCID001367475
    • 241-746-9
    • 2(5H)-Furanone, 5-octyl-
    • 2-octyl-2H-furan-5-one
    • MFCD00906761
    • 58949-91-0
    • 5-octyl-5H-furan-2-one
    • (1)-5-Octylfuran-2(5H)-one
    • EINECS 241-746-9
    • EINECS 261-517-7
    • .gamma.-2-dodecenolactone
    • SCHEMBL2315807
    • CHEMBL5433253
    • AKOS015918512
    • BS-51762
    • SY031924
    • DB-029189
    • NS00052860
    • E85343
    • 17756-68-2

  • Applications

    5-Octyl-2(5H)-furanone is commonly used as an aroma compound in fragrance and flavor applications, contributing fruity notes and often serving as a fragrance fixative due to its relatively low volatility. In cosmetics and personal care, it is employed as a fragrance ingredient in products such as creams, lotions and soaps. In household products, it is used to impart or enhance fragrance in cleaners and air-freshener formulations. In industrial manufacturing, it can function as an intermediate or specialty additive, for example as a fragrance precursor or processing aid in certain polymer systems; in polymers and plastics formulations it may act as a plasticizer or compatibility modifier in niche applications. It is also evaluated as an intermediate in the synthesis of other fragrance and flavor chemicals. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1897.34
    methanol 1462.12
    isopropanol 1578.5
    water 0.01
    ethyl acetate 2412.34
    n-propanol 1563.5
    acetone 3320.7
    n-butanol 1385.99
    acetonitrile 1571.55
    DMF 2097.58
    toluene 932.05
    isobutanol 1176.63
    1,4-dioxane 2215.77
    methyl acetate 1634.93
    THF 3824.34
    2-butanone 2609.9
    n-pentanol 1022.2
    sec-butanol 1477.19
    n-hexane 261.41
    ethylene glycol 101.31
    NMP 1618.53
    cyclohexane 327.57
    DMSO 2868.53
    n-butyl acetate 1735.38
    n-octanol 314.34
    chloroform 3740.39
    n-propyl acetate 1590.92
    acetic acid 744.94
    dichloromethane 4012.61
    cyclohexanone 2887.97
    propylene glycol 315.75
    isopropyl acetate 1684.39
    DMAc 1583.7
    2-ethoxyethanol 1133.08
    isopentanol 1238.8
    n-heptane 71.8
    ethyl formate 820.86
    1,2-dichloroethane 2982.81
    n-hexanol 963.45
    2-methoxyethanol 1640.79
    isobutyl acetate 976.7
    tetrachloromethane 436.28
    n-pentyl acetate 831.73
    transcutol 4160.3
    n-heptanol 308.57
    ethylbenzene 435.18
    MIBK 1299.8
    2-propoxyethanol 1491.76
    tert-butanol 1696.13
    MTBE 2667.36
    2-butoxyethanol 666.48
    propionic acid 810.07
    o-xylene 429.65
    formic acid 118.51
    diethyl ether 2741.85
    m-xylene 574.43
    p-xylene 517.42
    chlorobenzene 1169.89
    dimethyl carbonate 412.9
    n-octane 32.23
    formamide 262.08
    cyclopentanone 2737.78
    2-pentanone 2447.71
    anisole 943.29
    cyclopentyl methyl ether 2029.64
    gamma-butyrolactone 2276.42
    1-methoxy-2-propanol 1560.55
    pyridine 2121.78
    3-pentanone 1423.24
    furfural 1452.58
    n-dodecane 25.95
    diethylene glycol 693.95
    diisopropyl ether 695.52
    tert-amyl alcohol 1463.05
    acetylacetone 1856.95
    n-hexadecane 31.94
    acetophenone 780.34
    methyl propionate 1561.1
    isopentyl acetate 1484.05
    trichloroethylene 4085.86
    n-nonanol 281.09
    cyclohexanol 1274.19
    benzyl alcohol 648.89
    2-ethylhexanol 555.01
    isooctanol 289.18
    dipropyl ether 823.96
    1,2-dichlorobenzene 958.96
    ethyl lactate 428.72
    propylene carbonate 1213.14
    n-methylformamide 836.81
    2-pentanol 1086.68
    n-pentane 173.42
    1-propoxy-2-propanol 1146.0
    1-methoxy-2-propyl acetate 1366.96
    2-(2-methoxypropoxy) propanol 696.98
    mesitylene 359.42
    ε-caprolactone 2053.03
    p-cymene 213.57
    epichlorohydrin 3134.88
    1,1,1-trichloroethane 2298.17
    2-aminoethanol 419.7
    morpholine-4-carbaldehyde 1490.72
    sulfolane 2543.55
    2,2,4-trimethylpentane 90.06
    2-methyltetrahydrofuran 3335.74
    n-hexyl acetate 1024.25
    isooctane 82.6
    2-(2-butoxyethoxy)ethanol 989.03
    sec-butyl acetate 1153.32
    tert-butyl acetate 1573.19
    decalin 149.21
    glycerin 306.03
    diglyme 1664.0
    acrylic acid 480.19
    isopropyl myristate 358.27
    n-butyric acid 1602.89
    acetyl acetate 960.1
    di(2-ethylhexyl) phthalate 291.15
    ethyl propionate 1218.22
    nitromethane 1405.0
    1,2-diethoxyethane 1732.49
    benzonitrile 931.54
    trioctyl phosphate 195.5
    1-bromopropane 2297.84
    gamma-valerolactone 2505.84
    n-decanol 197.71
    triethyl phosphate 317.36
    4-methyl-2-pentanol 566.87
    propionitrile 1475.82
    vinylene carbonate 932.71
    1,1,2-trichlorotrifluoroethane 1432.41
    DMS 737.71
    cumene 284.86
    2-octanol 245.58
    2-hexanone 1591.67
    octyl acetate 417.68
    limonene 372.26
    1,2-dimethoxyethane 2048.61
    ethyl orthosilicate 312.46
    tributyl phosphate 293.13
    diacetone alcohol 1241.03
    N,N-dimethylaniline 510.34
    acrylonitrile 1331.98
    aniline 982.85
    1,3-propanediol 685.15
    bromobenzene 1432.65
    dibromomethane 2957.33
    1,1,2,2-tetrachloroethane 3303.26
    2-methyl-cyclohexyl acetate 632.37
    tetrabutyl urea 345.74
    diisobutyl methanol 306.55
    2-phenylethanol 628.43
    styrene 663.98
    dioctyl adipate 501.75
    dimethyl sulfate 611.55
    ethyl butyrate 903.55
    methyl lactate 485.39
    butyl lactate 522.23
    diethyl carbonate 538.47
    propanediol butyl ether 608.66
    triethyl orthoformate 543.17
    p-tert-butyltoluene 217.11
    methyl 4-tert-butylbenzoate 535.63
    morpholine 3303.17
    tert-butylamine 1134.2
    n-dodecanol 145.59
    dimethoxymethane 1647.98
    ethylene carbonate 900.65
    cyrene 500.88
    2-ethoxyethyl acetate 1101.63
    2-ethylhexyl acetate 1060.01
    1,2,4-trichlorobenzene 1127.32
    4-methylpyridine 2120.36
    dibutyl ether 753.22
    2,6-dimethyl-4-heptanol 306.55
    DEF 1916.6
    dimethyl isosorbide 1069.47
    tetrachloroethylene 1769.8
    eugenol 502.78
    triacetin 817.72
    span 80 573.39
    1,4-butanediol 274.08
    1,1-dichloroethane 3027.1
    2-methyl-1-pentanol 940.15
    methyl formate 464.73
    2-methyl-1-butanol 1144.0
    n-decane 47.98
    butyronitrile 1714.37
    3,7-dimethyl-1-octanol 430.01
    1-chlorooctane 293.49
    1-chlorotetradecane 104.29
    n-nonane 47.75
    undecane 33.82
    tert-butylcyclohexane 134.6
    cyclooctane 89.59
    cyclopentanol 1221.66
    tetrahydropyran 3498.77
    tert-amyl methyl ether 1487.03
    2,5,8-trioxanonane 1067.88
    1-hexene 1184.69
    2-isopropoxyethanol 949.58
    2,2,2-trifluoroethanol 169.81
    methyl butyrate 1647.46

    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