5-Hexyldihydromethylfuran-2(3H)-one

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  • Identifiers

    CAS number
    93980-90-6

    Molecular formula
    C11H18O2

    SMILES
    CCCCCCC1=CC(C(=O)O1)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 63.53%
    Lactonic 60.85%
    Coconut 56.91%
    Jasmin 50.17%
    Peach 47.71%
    Fatty 46.28%
    Floral 45.75%
    Creamy 44.15%
    Milky 43.7%
    Dairy 43.25%

     

    Flavor
    Herbal 44.86%
    Oily 42.56%
    Fatty 39.82%
    Coconut 38.78%
    Waxy 38.31%
    Fresh 35.87%
    Fruity 32.06%
    Creamy 31.52%
    Peach 30.2%
    Celery 29.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.68 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    239°C

    Flash point

    • 111.07 ˚C est.

  • Synonyms

    • 5-Hexyldihydromethylfuran-2(3H)-one
    • 93980-90-6
    • EINECS 301-070-8
    • DTXSID10916784
    • KGOKIKUWPSPJNC-UHFFFAOYSA-N
    • 5-Hexyl-3-methylfuran-2(3H)-one
    • 93980-90-6

  • Applications

    5-Hexyldihydromethylfuran-2(3H)-one (CAS 93980-90-6) is primarily used as an aroma chemical in fragrance and cosmetic formulations, contributing fruity, creamy notes in perfumery and serving as an odorant in household products; it is also evaluated as a flavor/aroma ingredient for food and beverage applications where permitted. Additionally, it acts as an intermediate in organic synthesis for specialty chemicals and can serve as a building block or additive in polymer and plasticizer formulations in industrial manufacturing, with potential use in coatings, inks, and adhesives as a fragrance component, all under regulatory restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3902.92
    methanol 4473.09
    isopropanol 3174.4
    water 0.21
    ethyl acetate 4770.92
    n-propanol 2922.19
    acetone 6269.15
    n-butanol 2868.32
    acetonitrile 4071.34
    DMF 5716.9
    toluene 1822.13
    isobutanol 2567.14
    1,4-dioxane 4309.08
    methyl acetate 3287.4
    THF 5421.87
    2-butanone 4426.86
    n-pentanol 1953.67
    sec-butanol 2710.15
    n-hexane 327.46
    ethylene glycol 392.29
    NMP 3421.39
    cyclohexane 327.03
    DMSO 4629.66
    n-butyl acetate 3262.9
    n-octanol 651.95
    chloroform 7932.59
    n-propyl acetate 2580.94
    acetic acid 2380.23
    dichloromethane 7228.28
    cyclohexanone 4621.65
    propylene glycol 728.23
    isopropyl acetate 3418.77
    DMAc 3653.27
    2-ethoxyethanol 2313.66
    isopentanol 3019.62
    n-heptane 67.11
    ethyl formate 2041.65
    1,2-dichloroethane 5071.24
    n-hexanol 1827.24
    2-methoxyethanol 3773.18
    isobutyl acetate 1694.66
    tetrachloromethane 849.15
    n-pentyl acetate 1523.2
    transcutol 8885.49
    n-heptanol 636.0
    ethylbenzene 803.95
    MIBK 2445.02
    2-propoxyethanol 2887.79
    tert-butanol 3507.3
    MTBE 5199.48
    2-butoxyethanol 1338.33
    propionic acid 1931.38
    o-xylene 830.15
    formic acid 623.33
    diethyl ether 4419.81
    m-xylene 1108.23
    p-xylene 1006.36
    chlorobenzene 2557.65
    dimethyl carbonate 1030.92
    n-octane 38.82
    formamide 1115.33
    cyclopentanone 4262.13
    2-pentanone 4225.59
    anisole 1883.4
    cyclopentyl methyl ether 2935.64
    gamma-butyrolactone 4402.76
    1-methoxy-2-propanol 3181.54
    pyridine 4094.71
    3-pentanone 2533.55
    furfural 3224.6
    n-dodecane 37.1
    diethylene glycol 1642.68
    diisopropyl ether 1177.16
    tert-amyl alcohol 2947.83
    acetylacetone 3814.91
    n-hexadecane 45.88
    acetophenone 1590.53
    methyl propionate 2825.17
    isopentyl acetate 3023.6
    trichloroethylene 8167.13
    n-nonanol 556.38
    cyclohexanol 2170.11
    benzyl alcohol 1409.42
    2-ethylhexanol 1006.61
    isooctanol 572.85
    dipropyl ether 1064.35
    1,2-dichlorobenzene 2052.53
    ethyl lactate 742.24
    propylene carbonate 2498.07
    n-methylformamide 2422.1
    2-pentanol 2084.83
    n-pentane 223.18
    1-propoxy-2-propanol 2009.09
    1-methoxy-2-propyl acetate 2526.95
    2-(2-methoxypropoxy) propanol 1300.71
    mesitylene 617.71
    ε-caprolactone 3707.95
    p-cymene 358.21
    epichlorohydrin 5643.35
    1,1,1-trichloroethane 4307.43
    2-aminoethanol 1135.66
    morpholine-4-carbaldehyde 3478.76
    sulfolane 3950.13
    2,2,4-trimethylpentane 150.19
    2-methyltetrahydrofuran 4848.2
    n-hexyl acetate 2065.6
    isooctane 134.4
    2-(2-butoxyethoxy)ethanol 1974.66
    sec-butyl acetate 2006.98
    tert-butyl acetate 2940.77
    decalin 218.11
    glycerin 845.35
    diglyme 3164.54
    acrylic acid 1408.58
    isopropyl myristate 570.95
    n-butyric acid 3473.46
    acetyl acetate 2094.4
    di(2-ethylhexyl) phthalate 545.03
    ethyl propionate 1970.76
    nitromethane 4164.84
    1,2-diethoxyethane 3163.74
    benzonitrile 2122.13
    trioctyl phosphate 354.39
    1-bromopropane 3325.28
    gamma-valerolactone 4811.05
    n-decanol 385.59
    triethyl phosphate 468.21
    4-methyl-2-pentanol 1198.5
    propionitrile 3019.61
    vinylene carbonate 2215.67
    1,1,2-trichlorotrifluoroethane 2861.8
    DMS 1555.5
    cumene 529.81
    2-octanol 508.83
    2-hexanone 2520.46
    octyl acetate 745.68
    limonene 565.55
    1,2-dimethoxyethane 3973.39
    ethyl orthosilicate 493.91
    tributyl phosphate 552.17
    diacetone alcohol 2303.68
    N,N-dimethylaniline 1042.79
    acrylonitrile 3100.59
    aniline 2184.81
    1,3-propanediol 1763.03
    bromobenzene 3004.05
    dibromomethane 4975.72
    1,1,2,2-tetrachloroethane 6673.87
    2-methyl-cyclohexyl acetate 982.34
    tetrabutyl urea 644.45
    diisobutyl methanol 504.26
    2-phenylethanol 1274.96
    styrene 1251.31
    dioctyl adipate 781.37
    dimethyl sulfate 1331.36
    ethyl butyrate 1464.87
    methyl lactate 1005.83
    butyl lactate 1035.3
    diethyl carbonate 884.17
    propanediol butyl ether 1336.33
    triethyl orthoformate 853.37
    p-tert-butyltoluene 358.06
    methyl 4-tert-butylbenzoate 995.29
    morpholine 5987.71
    tert-butylamine 2216.01
    n-dodecanol 275.65
    dimethoxymethane 3324.01
    ethylene carbonate 2026.77
    cyrene 890.36
    2-ethoxyethyl acetate 2128.08
    2-ethylhexyl acetate 2116.75
    1,2,4-trichlorobenzene 2305.76
    4-methylpyridine 4968.55
    dibutyl ether 1167.58
    2,6-dimethyl-4-heptanol 504.26
    DEF 4188.8
    dimethyl isosorbide 1795.79
    tetrachloroethylene 3618.98
    eugenol 1057.95
    triacetin 1411.15
    span 80 1053.94
    1,4-butanediol 712.44
    1,1-dichloroethane 5760.85
    2-methyl-1-pentanol 2079.86
    methyl formate 1579.38
    2-methyl-1-butanol 2719.72
    n-decane 64.96
    butyronitrile 3643.41
    3,7-dimethyl-1-octanol 827.97
    1-chlorooctane 462.55
    1-chlorotetradecane 166.87
    n-nonane 60.1
    undecane 47.33
    tert-butylcyclohexane 212.71
    cyclooctane 91.3
    cyclopentanol 2006.48
    tetrahydropyran 5130.32
    tert-amyl methyl ether 2663.04
    2,5,8-trioxanonane 1895.57
    1-hexene 1560.35
    2-isopropoxyethanol 1866.99
    2,2,2-trifluoroethanol 673.77
    methyl butyrate 2883.97

    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