2-(Hex-1-EN-1-YL)furan

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    68062-17-9

    Molecular formula
    C10H14O

    SMILES
    CCCCC=CC1=CC=CO1

  • Odor profile

    Fragrance
    Green 74.2%
    Fatty 69.06%
    Fruity 55.96%
    Vegetable 42.02%
    Nutty 38.33%
    Herbal 37.59%
    Oily 37.11%
    Spicy 36.89%
    Waxy 33.78%
    Tropical 33.4%

     

    Flavor
    Green 74.65%
    Fatty 56.59%
    Herbal 43.77%
    Fruity 43.4%
    Spicy 39.46%
    Fresh 37.49%
    Oily 35.84%
    Waxy 35.51%
    Mushroom 34.92%
    Fat 33.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.8 (neutral)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    207°C

    Flash point

    • 69.58 ˚C est.

  • Synonyms

    • 2-(HEX-1-EN-1-YL)FURAN
    • 96344-65-9
    • DTXSID30759993

  • Applications

    2-(Hex-1-en-1-yl)furan (CAS 68062-17-9) is an alkenyl-substituted furan with versatile applications: in food and beverage flavors and fragrances, it is used by flavorists at trace levels to impart warm roasted, nutty, caramel notes with green–fruity facets, rounding and authenticating profiles for coffee, cocoa, baked goods, nut, caramel, or grilled-meat flavors (only where permitted and in compliance with local regulations); as a synthetic building block and intermediate in agrochemical and pharmaceutical discovery, leveraging orthogonal reactivity on both the double bond and the furan ring; in aroma and analytical research it serves as a reference/marker compound for developing and calibrating GC-MS/GC-O methods and for tracking volatiles formed via Maillard chemistry, roasting, or lipid oxidation; in materials chemistry, the furan moiety functions as a diene for reversible Diels–Alder systems and the alkenyl side chain enables thiol–ene click reactions, enabling polymer networks, surface coatings, and thermally healable adhesives; it is also a convenient precursor for derivative libraries via epoxidation, hydroboration–oxidation, halogenation, or ozonolysis to tune odor properties, bioactivity, and material performance; appropriate safety, stability, and handling assessments (volatile, flammable) should accompany any scale-up or product integration.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4315.38
    methanol 3548.1
    isopropanol 2922.33
    water 0.07
    ethyl acetate 3994.95
    n-propanol 3382.97
    acetone 5862.59
    n-butanol 3087.8
    acetonitrile 2926.9
    DMF 4204.74
    toluene 2060.71
    isobutanol 2579.27
    1,4-dioxane 4635.27
    methyl acetate 3069.82
    THF 5850.85
    2-butanone 4285.56
    n-pentanol 1924.31
    sec-butanol 2777.76
    n-hexane 974.39
    ethylene glycol 537.21
    NMP 2384.3
    cyclohexane 1043.55
    DMSO 6445.93
    n-butyl acetate 2597.37
    n-octanol 694.59
    chloroform 6140.49
    n-propyl acetate 1777.46
    acetic acid 1772.78
    dichloromethane 6444.35
    cyclohexanone 3766.26
    propylene glycol 1071.99
    isopropyl acetate 1957.98
    DMAc 2447.7
    2-ethoxyethanol 1815.1
    isopentanol 2439.35
    n-heptane 347.29
    ethyl formate 1184.83
    1,2-dichloroethane 5374.74
    n-hexanol 2325.74
    2-methoxyethanol 3599.39
    isobutyl acetate 1051.18
    tetrachloromethane 911.87
    n-pentyl acetate 948.49
    transcutol 7829.58
    n-heptanol 615.32
    ethylbenzene 798.91
    MIBK 1687.17
    2-propoxyethanol 2754.51
    tert-butanol 2978.8
    MTBE 4297.63
    2-butoxyethanol 1017.51
    propionic acid 1736.74
    o-xylene 752.04
    formic acid 343.1
    diethyl ether 6143.56
    m-xylene 975.96
    p-xylene 800.96
    chlorobenzene 1888.19
    dimethyl carbonate 906.46
    n-octane 111.83
    formamide 664.57
    cyclopentanone 3803.42
    2-pentanone 3626.74
    anisole 1519.52
    cyclopentyl methyl ether 3553.32
    gamma-butyrolactone 3031.31
    1-methoxy-2-propanol 2893.22
    pyridine 4047.57
    3-pentanone 2648.28
    furfural 2001.23
    n-dodecane 78.9
    diethylene glycol 1535.49
    diisopropyl ether 1364.65
    tert-amyl alcohol 2565.74
    acetylacetone 2798.17
    n-hexadecane 94.14
    acetophenone 1063.57
    methyl propionate 3044.65
    isopentyl acetate 1926.17
    trichloroethylene 7317.41
    n-nonanol 581.04
    cyclohexanol 2364.62
    benzyl alcohol 1090.54
    2-ethylhexanol 1183.96
    isooctanol 512.61
    dipropyl ether 2032.27
    1,2-dichlorobenzene 1418.45
    ethyl lactate 539.27
    propylene carbonate 1451.86
    n-methylformamide 1571.61
    2-pentanol 2169.28
    n-pentane 787.78
    1-propoxy-2-propanol 1988.95
    1-methoxy-2-propyl acetate 1989.05
    2-(2-methoxypropoxy) propanol 1073.91
    mesitylene 549.31
    ε-caprolactone 2402.82
    p-cymene 371.8
    epichlorohydrin 4431.93
    1,1,1-trichloroethane 3662.47
    2-aminoethanol 1263.09
    morpholine-4-carbaldehyde 2350.96
    sulfolane 3705.84
    2,2,4-trimethylpentane 270.55
    2-methyltetrahydrofuran 5071.99
    n-hexyl acetate 1490.55
    isooctane 232.77
    2-(2-butoxyethoxy)ethanol 1630.4
    sec-butyl acetate 1133.27
    tert-butyl acetate 1908.24
    decalin 382.13
    glycerin 930.88
    diglyme 2578.33
    acrylic acid 1217.8
    isopropyl myristate 502.52
    n-butyric acid 2702.35
    acetyl acetate 1432.45
    di(2-ethylhexyl) phthalate 403.31
    ethyl propionate 1605.82
    nitromethane 2759.54
    1,2-diethoxyethane 3185.74
    benzonitrile 1256.36
    trioctyl phosphate 296.92
    1-bromopropane 4183.95
    gamma-valerolactone 3258.14
    n-decanol 431.48
    triethyl phosphate 387.62
    4-methyl-2-pentanol 899.49
    propionitrile 2349.03
    vinylene carbonate 1215.57
    1,1,2-trichlorotrifluoroethane 2583.63
    DMS 1172.13
    cumene 449.02
    2-octanol 441.74
    2-hexanone 2041.28
    octyl acetate 604.63
    limonene 731.16
    1,2-dimethoxyethane 3083.73
    ethyl orthosilicate 421.14
    tributyl phosphate 422.46
    diacetone alcohol 1697.11
    N,N-dimethylaniline 799.44
    acrylonitrile 2276.72
    aniline 2098.79
    1,3-propanediol 1721.45
    bromobenzene 2357.41
    dibromomethane 4951.75
    1,1,2,2-tetrachloroethane 5491.54
    2-methyl-cyclohexyl acetate 787.08
    tetrabutyl urea 538.53
    diisobutyl methanol 569.38
    2-phenylethanol 1118.78
    styrene 1212.82
    dioctyl adipate 665.47
    dimethyl sulfate 1150.99
    ethyl butyrate 1311.88
    methyl lactate 904.71
    butyl lactate 654.08
    diethyl carbonate 695.66
    propanediol butyl ether 1070.05
    triethyl orthoformate 720.01
    p-tert-butyltoluene 365.07
    methyl 4-tert-butylbenzoate 695.83
    morpholine 6061.08
    tert-butylamine 2227.79
    n-dodecanol 336.28
    dimethoxymethane 3476.56
    ethylene carbonate 1108.56
    cyrene 691.4
    2-ethoxyethyl acetate 1430.57
    2-ethylhexyl acetate 1455.51
    1,2,4-trichlorobenzene 1657.75
    4-methylpyridine 3659.48
    dibutyl ether 1514.91
    2,6-dimethyl-4-heptanol 569.38
    DEF 3138.98
    dimethyl isosorbide 1398.66
    tetrachloroethylene 3264.0
    eugenol 702.09
    triacetin 1070.38
    span 80 940.48
    1,4-butanediol 633.99
    1,1-dichloroethane 4845.18
    2-methyl-1-pentanol 1707.74
    methyl formate 1038.66
    2-methyl-1-butanol 2479.65
    n-decane 142.0
    butyronitrile 2548.45
    3,7-dimethyl-1-octanol 812.55
    1-chlorooctane 613.42
    1-chlorotetradecane 227.27
    n-nonane 157.34
    undecane 102.19
    tert-butylcyclohexane 337.61
    cyclooctane 329.22
    cyclopentanol 1951.24
    tetrahydropyran 6302.09
    tert-amyl methyl ether 2462.66
    2,5,8-trioxanonane 1631.18
    1-hexene 2789.01
    2-isopropoxyethanol 1316.94
    2,2,2-trifluoroethanol 346.74
    methyl butyrate 1849.11

    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

Botanical

Name CAS Botanical Proportion
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%