2-Heptylfuran

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  • Identifiers

    CAS number
    3777-71-7

    Molecular formula
    C11H18O

    SMILES
    CCCCCCCC1=CC=CO1

  • Odor profile

    Fragrance
    Fatty 77.04%
    Green 65.09%
    Meaty 49.92%
    Oily 49.71%
    Roasted 46.74%
    Vegetable 45.7%
    Fruity 44.83%
    Nutty 42.1%
    Earthy 41.95%
    Waxy 39.97%

     

    Flavor
    Green 75.61%
    Fatty 67.35%
    Fruity 60.58%
    Earthy 49.31%
    Nutty 46.61%
    Vegetable 45.54%
    Mushroom 44.7%
    Roasted 40.1%
    Oily 39.6%
    Waxy 37.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.24 (neutral)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 209.00 to 210.00 °C. @ 760.00 mm Hg

    Flash point

    • 74.61 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-HEPTYLFURAN
    • 2-n-Heptylfuran
    • 3777-71-7
    • Furan, 2-heptyl-
    • FEMA No. 3401
    • CCRIS 6901
    • UNII-7W55A39QXM
    • 7W55A39QXM
    • EINECS 223-236-8
    • HEPTYLFURAN, 2-N-
    • 2-HEPTYLFURAN [FHFI]
    • DTXSID2063187
    • FEMA 3401
    • CHEBI:167091
    • Furan, heptyl-
    • 2nHeptylfuran
    • 2-heptyluran
    • 2-Heptyl-furan
    • Furan, 2heptyl
    • MFCD00051820
    • SCHEMBL1868812
    • DTXCID3039404
    • AKOS005266535
    • PS-11660
    • DB-021419
    • NS00012524
    • G90004
    • Q27268935
    • 223-236-8

  • Applications

    2-Heptylfuran (CAS 3777-71-7) is primarily used as an organic synthesis intermediate, providing a furan ring framework for subsequent transformations in chemical manufacturing. It is often evaluated as a fragrance/odorant ingredient in perfumery and flavor applications, contributing green, woody, or fruity notes depending on formulation. It may also find use in cosmetics and personal care as a specialty aroma component. In household products, it can serve as a fragrance additive or odor cue. In industrial manufacturing and polymer chemistry, it can act as a functional building block for furan-containing polymers or other advanced materials. Applications depend on regulatory status and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13796.59
    methanol 11249.02
    isopropanol 10572.37
    water 0.06
    ethyl acetate 14485.11
    n-propanol 11284.09
    acetone 19161.24
    n-butanol 9540.32
    acetonitrile 10922.31
    DMF 7696.16
    toluene 4264.22
    isobutanol 8261.92
    1,4-dioxane 13677.62
    methyl acetate 8894.61
    THF 15975.21
    2-butanone 12202.27
    n-pentanol 6512.4
    sec-butanol 8830.07
    n-hexane 3395.05
    ethylene glycol 880.15
    NMP 3254.28
    cyclohexane 3604.07
    DMSO 12768.32
    n-butyl acetate 9837.58
    n-octanol 1855.79
    chloroform 15305.71
    n-propyl acetate 7729.97
    acetic acid 4366.83
    dichloromethane 17544.72
    cyclohexanone 12105.92
    propylene glycol 1851.14
    isopropyl acetate 7467.68
    DMAc 3985.36
    2-ethoxyethanol 5671.68
    isopentanol 7567.75
    n-heptane 1322.24
    ethyl formate 4350.92
    1,2-dichloroethane 13148.16
    n-hexanol 6765.42
    2-methoxyethanol 9207.44
    isobutyl acetate 3856.92
    tetrachloromethane 2471.3
    n-pentyl acetate 3466.1
    transcutol 18067.35
    n-heptanol 1784.22
    ethylbenzene 1839.49
    MIBK 4946.37
    2-propoxyethanol 7787.62
    tert-butanol 10056.85
    MTBE 13878.46
    2-butoxyethanol 2874.81
    propionic acid 4467.36
    o-xylene 1518.45
    formic acid 691.45
    diethyl ether 20447.72
    m-xylene 1964.56
    p-xylene 2015.31
    chlorobenzene 4246.78
    dimethyl carbonate 1546.84
    n-octane 404.53
    formamide 1284.57
    cyclopentanone 8905.25
    2-pentanone 11893.71
    anisole 3285.85
    cyclopentyl methyl ether 8804.99
    gamma-butyrolactone 7176.13
    1-methoxy-2-propanol 6948.62
    pyridine 10126.51
    3-pentanone 7047.83
    furfural 4271.08
    n-dodecane 226.67
    diethylene glycol 3281.79
    diisopropyl ether 4181.41
    tert-amyl alcohol 7099.72
    acetylacetone 7520.81
    n-hexadecane 275.55
    acetophenone 2211.82
    methyl propionate 7434.24
    isopentyl acetate 6933.0
    trichloroethylene 15476.76
    n-nonanol 1524.16
    cyclohexanol 6712.62
    benzyl alcohol 2333.49
    2-ethylhexanol 3509.62
    isooctanol 1465.89
    dipropyl ether 7996.27
    1,2-dichlorobenzene 2814.75
    ethyl lactate 1264.04
    propylene carbonate 3563.56
    n-methylformamide 3759.61
    2-pentanol 6661.05
    n-pentane 2300.95
    1-propoxy-2-propanol 5966.37
    1-methoxy-2-propyl acetate 5411.46
    2-(2-methoxypropoxy) propanol 2005.72
    mesitylene 1150.0
    ε-caprolactone 7701.87
    p-cymene 918.63
    epichlorohydrin 10984.44
    1,1,1-trichloroethane 9653.18
    2-aminoethanol 2874.12
    morpholine-4-carbaldehyde 4977.32
    sulfolane 6533.75
    2,2,4-trimethylpentane 571.91
    2-methyltetrahydrofuran 14049.65
    n-hexyl acetate 4399.81
    isooctane 529.75
    2-(2-butoxyethoxy)ethanol 3393.72
    sec-butyl acetate 4304.93
    tert-butyl acetate 5862.55
    decalin 929.29
    glycerin 1415.43
    diglyme 6541.5
    acrylic acid 2406.47
    isopropyl myristate 1261.65
    n-butyric acid 8625.44
    acetyl acetate 4101.43
    di(2-ethylhexyl) phthalate 802.78
    ethyl propionate 5456.01
    nitromethane 7568.1
    1,2-diethoxyethane 11080.1
    benzonitrile 3066.41
    trioctyl phosphate 633.21
    1-bromopropane 12410.35
    gamma-valerolactone 8787.18
    n-decanol 1046.44
    triethyl phosphate 965.34
    4-methyl-2-pentanol 2558.6
    propionitrile 8873.86
    vinylene carbonate 2952.55
    1,1,2-trichlorotrifluoroethane 4752.3
    DMS 2375.72
    cumene 985.15
    2-octanol 1299.39
    2-hexanone 7401.6
    octyl acetate 1479.93
    limonene 2044.46
    1,2-dimethoxyethane 11128.65
    ethyl orthosilicate 1112.57
    tributyl phosphate 947.14
    diacetone alcohol 3850.49
    N,N-dimethylaniline 1568.72
    acrylonitrile 7172.63
    aniline 4272.2
    1,3-propanediol 4365.52
    bromobenzene 5038.74
    dibromomethane 13872.92
    1,1,2,2-tetrachloroethane 11626.33
    2-methyl-cyclohexyl acetate 2087.27
    tetrabutyl urea 1174.39
    diisobutyl methanol 1565.52
    2-phenylethanol 2479.17
    styrene 2816.81
    dioctyl adipate 1515.91
    dimethyl sulfate 1635.71
    ethyl butyrate 5000.55
    methyl lactate 1538.63
    butyl lactate 1746.6
    diethyl carbonate 2271.94
    propanediol butyl ether 2106.98
    triethyl orthoformate 2520.61
    p-tert-butyltoluene 871.48
    methyl 4-tert-butylbenzoate 1365.16
    morpholine 17257.99
    tert-butylamine 7431.82
    n-dodecanol 774.22
    dimethoxymethane 7914.71
    ethylene carbonate 3266.85
    cyrene 1152.11
    2-ethoxyethyl acetate 4120.68
    2-ethylhexyl acetate 4854.11
    1,2,4-trichlorobenzene 2934.17
    4-methylpyridine 8761.33
    dibutyl ether 5765.62
    2,6-dimethyl-4-heptanol 1565.52
    DEF 8492.15
    dimethyl isosorbide 2779.5
    tetrachloroethylene 7488.01
    eugenol 1236.48
    triacetin 2318.67
    span 80 1844.83
    1,4-butanediol 1502.41
    1,1-dichloroethane 14691.41
    2-methyl-1-pentanol 4823.6
    methyl formate 2469.82
    2-methyl-1-butanol 6878.78
    n-decane 471.87
    butyronitrile 9962.7
    3,7-dimethyl-1-octanol 2038.87
    1-chlorooctane 1800.69
    1-chlorotetradecane 553.72
    n-nonane 539.61
    undecane 310.51
    tert-butylcyclohexane 861.47
    cyclooctane 908.21
    cyclopentanol 5417.41
    tetrahydropyran 20575.17
    tert-amyl methyl ether 6624.27
    2,5,8-trioxanonane 3389.74
    1-hexene 10237.39
    2-isopropoxyethanol 4101.5
    2,2,2-trifluoroethanol 725.19
    methyl butyrate 7705.01

    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