3,5-Dimethyl-5-pentylfuran-2(5H)-one

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  • Identifiers

    CAS number
    91401-70-6

    Molecular formula
    C11H18O2

    SMILES
    CCCCCC1(C=C(C(=O)O1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 77.24%
    Fruity 57.37%
    Jasmin 54.37%
    Sweet 52.09%
    Lactonic 48.56%
    Coconut 47.07%
    Herbal 45.44%
    Spicy 42.53%
    Creamy 40.5%
    Celery 39.79%

     

    Flavor
    Herbal 58.54%
    Woody 46.49%
    Minty 40.36%
    Spicy 32.53%
    Fruity 29.24%
    Fresh 29.24%
    Celery 28.95%
    Spice 28.82%
    Herb 23.53%
    Warm 23.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.92 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 104.96 ˚C est.

  • Synonyms

    • 91401-70-6
    • DTXSID40757167
    • 3,5-Dimethyl-5-pentylfuran-2(5H)-one
    • 91401-70-6

  • Applications

    3,5-Dimethyl-5-pentylfuran-2(5H)-one is primarily used as an aroma compound in perfumery, contributing fruity and amber notes and sometimes functioning as a scent fixative; it may be evaluated for flavor/aroma applications in food and beverages; in cosmetics and personal care, it can serve as a fragrance ingredient in products such as creams, lotions and soaps; in household products, detergents and cleaning solutions, it is used to impart a long-lasting fragrance; in coatings and inks, it may be employed as a fragrance additive or odorant; and in industrial manufacturing, it can act as a synthetic intermediate for the synthesis of other fragrance compounds. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4453.79
    methanol 5506.9
    isopropanol 4060.04
    water 0.88
    ethyl acetate 3406.78
    n-propanol 3526.22
    acetone 3330.92
    n-butanol 3475.98
    acetonitrile 2940.0
    DMF 3724.04
    toluene 1668.53
    isobutanol 3201.39
    1,4-dioxane 4157.78
    methyl acetate 2398.7
    THF 5168.92
    2-butanone 2804.1
    n-pentanol 2472.78
    sec-butanol 3665.18
    n-hexane 548.98
    ethylene glycol 390.91
    NMP 2597.53
    cyclohexane 679.24
    DMSO 2106.4
    n-butyl acetate 2883.95
    n-octanol 1181.12
    chloroform 7048.8
    n-propyl acetate 1741.08
    acetic acid 2104.17
    dichloromethane 5586.01
    cyclohexanone 3658.05
    propylene glycol 796.26
    isopropyl acetate 2510.72
    DMAc 2376.49
    2-ethoxyethanol 1898.58
    isopentanol 3427.83
    n-heptane 169.04
    ethyl formate 1853.87
    1,2-dichloroethane 3329.45
    n-hexanol 3098.62
    2-methoxyethanol 3104.17
    isobutyl acetate 1299.22
    tetrachloromethane 933.09
    n-pentyl acetate 1515.98
    transcutol 5337.58
    n-heptanol 1035.87
    ethylbenzene 839.68
    MIBK 1903.46
    2-propoxyethanol 3272.99
    tert-butanol 4288.27
    MTBE 4664.41
    2-butoxyethanol 1395.94
    propionic acid 1710.84
    o-xylene 851.06
    formic acid 588.97
    diethyl ether 4130.35
    m-xylene 1142.6
    p-xylene 1041.35
    chlorobenzene 2048.74
    dimethyl carbonate 781.81
    n-octane 92.83
    formamide 817.39
    cyclopentanone 2988.7
    2-pentanone 2896.99
    anisole 1502.54
    cyclopentyl methyl ether 2748.85
    gamma-butyrolactone 3344.8
    1-methoxy-2-propanol 2667.46
    pyridine 2855.42
    3-pentanone 1741.5
    furfural 2273.55
    n-dodecane 86.19
    diethylene glycol 1545.37
    diisopropyl ether 1278.68
    tert-amyl alcohol 3552.9
    acetylacetone 2240.72
    n-hexadecane 101.26
    acetophenone 1161.83
    methyl propionate 1961.78
    isopentyl acetate 2626.63
    trichloroethylene 5462.77
    n-nonanol 944.06
    cyclohexanol 2771.08
    benzyl alcohol 1166.45
    2-ethylhexanol 1400.64
    isooctanol 817.81
    dipropyl ether 1212.57
    1,2-dichlorobenzene 1634.46
    ethyl lactate 557.7
    propylene carbonate 2071.28
    n-methylformamide 1708.7
    2-pentanol 2762.25
    n-pentane 443.0
    1-propoxy-2-propanol 2049.22
    1-methoxy-2-propyl acetate 1998.6
    2-(2-methoxypropoxy) propanol 1166.47
    mesitylene 691.77
    ε-caprolactone 3125.57
    p-cymene 428.44
    epichlorohydrin 3956.39
    1,1,1-trichloroethane 3337.12
    2-aminoethanol 1189.9
    morpholine-4-carbaldehyde 2772.01
    sulfolane 2594.13
    2,2,4-trimethylpentane 238.23
    2-methyltetrahydrofuran 4322.1
    n-hexyl acetate 2311.34
    isooctane 216.75
    2-(2-butoxyethoxy)ethanol 1792.65
    sec-butyl acetate 1420.97
    tert-butyl acetate 2246.8
    decalin 301.82
    glycerin 790.22
    diglyme 2537.44
    acrylic acid 1127.0
    isopropyl myristate 645.0
    n-butyric acid 3098.71
    acetyl acetate 1598.2
    di(2-ethylhexyl) phthalate 569.73
    ethyl propionate 1423.56
    nitromethane 2477.32
    1,2-diethoxyethane 2311.74
    benzonitrile 1734.79
    trioctyl phosphate 405.94
    1-bromopropane 2943.44
    gamma-valerolactone 3625.6
    n-decanol 630.5
    triethyl phosphate 418.0
    4-methyl-2-pentanol 1423.97
    propionitrile 2676.48
    vinylene carbonate 1865.29
    1,1,2-trichlorotrifluoroethane 1992.52
    DMS 1180.8
    cumene 563.45
    2-octanol 858.68
    2-hexanone 1785.48
    octyl acetate 874.91
    limonene 697.14
    1,2-dimethoxyethane 3065.26
    ethyl orthosilicate 467.05
    tributyl phosphate 549.66
    diacetone alcohol 1784.65
    N,N-dimethylaniline 925.2
    acrylonitrile 2270.64
    aniline 1741.97
    1,3-propanediol 1713.54
    bromobenzene 2364.62
    dibromomethane 3941.66
    1,1,2,2-tetrachloroethane 4563.0
    2-methyl-cyclohexyl acetate 942.98
    tetrabutyl urea 642.6
    diisobutyl methanol 594.35
    2-phenylethanol 1373.77
    styrene 1091.05
    dioctyl adipate 758.18
    dimethyl sulfate 905.96
    ethyl butyrate 1288.53
    methyl lactate 718.72
    butyl lactate 865.97
    diethyl carbonate 750.89
    propanediol butyl ether 1338.25
    triethyl orthoformate 761.55
    p-tert-butyltoluene 444.74
    methyl 4-tert-butylbenzoate 946.92
    morpholine 5020.59
    tert-butylamine 3036.48
    n-dodecanol 432.21
    dimethoxymethane 2599.47
    ethylene carbonate 1803.95
    cyrene 782.82
    2-ethoxyethyl acetate 1638.14
    2-ethylhexyl acetate 1860.51
    1,2,4-trichlorobenzene 1773.65
    4-methylpyridine 3612.89
    dibutyl ether 1308.0
    2,6-dimethyl-4-heptanol 594.35
    DEF 2843.38
    dimethyl isosorbide 1671.21
    tetrachloroethylene 2607.7
    eugenol 939.6
    triacetin 1156.32
    span 80 1057.45
    1,4-butanediol 744.47
    1,1-dichloroethane 4224.94
    2-methyl-1-pentanol 2336.51
    methyl formate 1261.77
    2-methyl-1-butanol 3187.4
    n-decane 155.53
    butyronitrile 3541.76
    3,7-dimethyl-1-octanol 1082.7
    1-chlorooctane 746.48
    1-chlorotetradecane 253.84
    n-nonane 152.64
    undecane 111.76
    tert-butylcyclohexane 301.38
    cyclooctane 196.37
    cyclopentanol 2373.65
    tetrahydropyran 5071.76
    tert-amyl methyl ether 2565.56
    2,5,8-trioxanonane 1577.39
    1-hexene 1853.29
    2-isopropoxyethanol 1538.06
    2,2,2-trifluoroethanol 545.66
    methyl butyrate 1950.41

    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