Furan, 2-hexyl-5-methyl-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5312-82-3

    Molecular formula
    C11H18O

    SMILES
    CCCCCCC1=CC=C(O1)C

  • Odor profile

    Fragrance
    Fatty 67.63%
    Green 59.68%
    Fruity 51.43%
    Roasted 51.29%
    Meaty 48.28%
    Vegetable 44.12%
    Nutty 42.67%
    Earthy 40.16%
    Burnt 39.76%
    Oily 39.01%

     

    Flavor
    Green 55.76%
    Fatty 51.67%
    Earthy 49.94%
    Roasted 46.83%
    Fruity 46.13%
    Nutty 42.42%
    Vegetable 39.18%
    Meaty 38.82%
    Mushroom 38.71%
    Spicy 36.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.51 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    217°C

    Flash point

    • 75.18 ˚C est.

  • Synonyms

    • Furan, 2-hexyl-5-methyl-
    • 5312-82-3
    • 2-hexyl-5-methylfuran
    • DTXSID50454579
    • 2-hexyl-5-methyl-furan
    • SCHEMBL11130827
    • DTXCID40405398
    • AKOS015906514

  • Applications

    Furan, 2-hexyl-5-methyl- (CAS 5312-82-3) is a volatile furan derivative used primarily as a flavor ingredient imparting roasted, nutty, cocoa, coffee, and caramel notes in flavor formulations for foods, beverages, baked goods, and tobacco; in fragrance work it can contribute warm, slightly smoky facets to gourmand and amber accords; in analytical labs it is employed as a reference standard or internal standard and as an aroma marker for calibration, method validation, and studies of Maillard, roasting, and thermal-processing volatiles; in R&D it serves as a model compound to probe furan-formation mechanisms, determine sensory thresholds and contributions, reconstruct coffee/chocolate/bread aroma profiles, and as a reference in GC-MS/GC-O; it can also function as a synthetic intermediate in furan chemistry and aroma-material design to tune volatility and odor character.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5546.61
    methanol 5252.4
    isopropanol 4158.47
    water 0.25
    ethyl acetate 5470.65
    n-propanol 4608.77
    acetone 6789.53
    n-butanol 4460.03
    acetonitrile 4062.0
    DMF 4415.64
    toluene 2633.04
    isobutanol 3820.36
    1,4-dioxane 8428.38
    methyl acetate 4117.5
    THF 8475.21
    2-butanone 4950.94
    n-pentanol 3272.13
    sec-butanol 3849.4
    n-hexane 2638.36
    ethylene glycol 649.99
    NMP 2962.62
    cyclohexane 2191.52
    DMSO 5698.79
    n-butyl acetate 4926.18
    n-octanol 1339.06
    chloroform 10880.93
    n-propyl acetate 3283.07
    acetic acid 2333.99
    dichloromethane 9881.39
    cyclohexanone 6087.79
    propylene glycol 1232.55
    isopropyl acetate 3533.14
    DMAc 3306.69
    2-ethoxyethanol 3027.59
    isopentanol 4118.56
    n-heptane 763.44
    ethyl formate 2029.7
    1,2-dichloroethane 6515.24
    n-hexanol 4071.41
    2-methoxyethanol 4625.74
    isobutyl acetate 2151.56
    tetrachloromethane 1747.18
    n-pentyl acetate 2079.43
    transcutol 10854.32
    n-heptanol 1173.26
    ethylbenzene 1225.41
    MIBK 2697.9
    2-propoxyethanol 4715.37
    tert-butanol 4784.86
    MTBE 7670.43
    2-butoxyethanol 1825.25
    propionic acid 2488.14
    o-xylene 1169.33
    formic acid 542.69
    diethyl ether 8811.36
    m-xylene 1374.19
    p-xylene 1455.66
    chlorobenzene 3054.92
    dimethyl carbonate 1072.39
    n-octane 267.81
    formamide 784.15
    cyclopentanone 4865.19
    2-pentanone 4648.9
    anisole 2228.09
    cyclopentyl methyl ether 5086.9
    gamma-butyrolactone 4423.7
    1-methoxy-2-propanol 3470.42
    pyridine 5306.97
    3-pentanone 3187.44
    furfural 3028.12
    n-dodecane 182.9
    diethylene glycol 2303.42
    diisopropyl ether 2223.07
    tert-amyl alcohol 3977.54
    acetylacetone 3986.94
    n-hexadecane 216.41
    acetophenone 1550.72
    methyl propionate 3370.74
    isopentyl acetate 4038.28
    trichloroethylene 9152.93
    n-nonanol 1141.79
    cyclohexanol 4000.38
    benzyl alcohol 1639.09
    2-ethylhexanol 2274.48
    isooctanol 979.07
    dipropyl ether 3834.69
    1,2-dichlorobenzene 2215.06
    ethyl lactate 839.24
    propylene carbonate 2359.15
    n-methylformamide 1841.3
    2-pentanol 3144.74
    n-pentane 1369.77
    1-propoxy-2-propanol 3524.28
    1-methoxy-2-propyl acetate 3384.21
    2-(2-methoxypropoxy) propanol 1723.72
    mesitylene 882.53
    ε-caprolactone 4543.45
    p-cymene 645.33
    epichlorohydrin 6154.47
    1,1,1-trichloroethane 5857.63
    2-aminoethanol 1627.34
    morpholine-4-carbaldehyde 3874.92
    sulfolane 4445.1
    2,2,4-trimethylpentane 494.09
    2-methyltetrahydrofuran 7496.68
    n-hexyl acetate 3070.58
    isooctane 401.26
    2-(2-butoxyethoxy)ethanol 2691.86
    sec-butyl acetate 2176.39
    tert-butyl acetate 3436.47
    decalin 787.14
    glycerin 1196.48
    diglyme 4221.64
    acrylic acid 1581.1
    isopropyl myristate 989.73
    n-butyric acid 4294.25
    acetyl acetate 2384.96
    di(2-ethylhexyl) phthalate 760.4
    ethyl propionate 2516.89
    nitromethane 3563.42
    1,2-diethoxyethane 6045.52
    benzonitrile 2018.62
    trioctyl phosphate 559.41
    1-bromopropane 6062.34
    gamma-valerolactone 5424.18
    n-decanol 832.53
    triethyl phosphate 717.04
    4-methyl-2-pentanol 1658.6
    propionitrile 3616.7
    vinylene carbonate 2045.98
    1,1,2-trichlorotrifluoroethane 3337.91
    DMS 1876.89
    cumene 781.5
    2-octanol 920.75
    2-hexanone 3460.77
    octyl acetate 1159.25
    limonene 1383.35
    1,2-dimethoxyethane 6241.3
    ethyl orthosilicate 840.3
    tributyl phosphate 807.69
    diacetone alcohol 2374.13
    N,N-dimethylaniline 1283.68
    acrylonitrile 3178.34
    aniline 2772.03
    1,3-propanediol 2336.62
    bromobenzene 3611.58
    dibromomethane 7694.34
    1,1,2,2-tetrachloroethane 7857.48
    2-methyl-cyclohexyl acetate 1551.47
    tetrabutyl urea 995.5
    diisobutyl methanol 1022.83
    2-phenylethanol 1756.9
    styrene 1806.54
    dioctyl adipate 1228.0
    dimethyl sulfate 1340.07
    ethyl butyrate 2406.57
    methyl lactate 1008.36
    butyl lactate 1260.7
    diethyl carbonate 1283.81
    propanediol butyl ether 1669.71
    triethyl orthoformate 1515.6
    p-tert-butyltoluene 653.4
    methyl 4-tert-butylbenzoate 1129.82
    morpholine 9193.49
    tert-butylamine 3742.33
    n-dodecanol 638.13
    dimethoxymethane 3841.59
    ethylene carbonate 2157.19
    cyrene 1105.07
    2-ethoxyethyl acetate 2633.07
    2-ethylhexyl acetate 3050.08
    1,2,4-trichlorobenzene 2448.88
    4-methylpyridine 5259.2
    dibutyl ether 3189.95
    2,6-dimethyl-4-heptanol 1022.83
    DEF 4346.53
    dimethyl isosorbide 2283.58
    tetrachloroethylene 4913.49
    eugenol 1059.45
    triacetin 1791.57
    span 80 1604.38
    1,4-butanediol 1016.53
    1,1-dichloroethane 7060.61
    2-methyl-1-pentanol 2954.36
    methyl formate 1338.16
    2-methyl-1-butanol 3810.83
    n-decane 343.56
    butyronitrile 4244.66
    3,7-dimethyl-1-octanol 1523.25
    1-chlorooctane 1278.04
    1-chlorotetradecane 459.15
    n-nonane 374.26
    undecane 242.72
    tert-butylcyclohexane 731.1
    cyclooctane 671.3
    cyclopentanol 3202.14
    tetrahydropyran 10095.88
    tert-amyl methyl ether 4148.57
    2,5,8-trioxanonane 2582.4
    1-hexene 5944.0
    2-isopropoxyethanol 2397.87
    2,2,2-trifluoroethanol 602.21
    methyl butyrate 3506.27

    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
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.09%