(E)-2-(3,5-Hexadienyl)-5-methylfuran

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  • Identifiers

    CAS number
    5159-44-4

    Molecular formula
    C11H14O

    SMILES
    CC1=CC=C(O1)CC/C=C/C=C

    Safety labels

  • Odor profile

    Fragrance
    Green 61.68%
    Fruity 51.14%
    Herbal 46.54%
    Fatty 45.16%
    Floral 43.45%
    Spicy 40.16%
    Nutty 33.68%
    Tropical 32.28%
    Vegetable 31.64%
    Citrus 31.51%

     

    Flavor
    Spicy 28.79%
    Spice 26.96%
    Oily 23.32%
    Floral 22.9%
    Green 22.64%
    Fatty 22.45%
    Woody 22.38%
    Herbal 21.37%
    Terpentine 20.31%
    Pumpkin 20.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.67 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point

    • 75.0 ˚C est.

  • Synonyms

    • 5159-44-4
    • (E)-2-(3,5-Hexadienyl)-5-methylfuran
    • (E)-2-(Hexa-3,5-dien-1-yl)-5-methylfuran
    • EINECS 225-934-8
    • 2-[(3E)-HEXA-3,5-DIEN-1-YL]-5-METHYLFURAN
    • SCHEMBL11811633
    • UXETZHCGPACBOS-SNAWJCMRSA-N
    • DTXSID601270462
    • AKOS006278934
    • 2-(3,5-HEXADIENYL)-5-METHYLFURAN
    • NS00046021
    • Furan, 2-(3,5-hexadienyl)-5-methyl-, (E)-
    • 5159-44-4

  • Applications

    For CAS 5159-44-4, (E)-2-(3,5-Hexadienyl)-5-methylfuran is typically evaluated as a fragrance intermediate and odorant, and may be used as a fragrance ingredient in cosmetics and personal care formulations. It can also serve as a chemical building block in fragrance and flavor synthesis for household products, and may be employed in coatings and inks as an aroma additive. Additionally, it may function as a reactive intermediate in industrial manufacturing and, where relevant, as a component in polymers/plastics to introduce aroma-active functionality. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 408.12
    methanol 347.86
    isopropanol 296.45
    water 0.19
    ethyl acetate 454.15
    n-propanol 345.04
    acetone 450.21
    n-butanol 396.55
    acetonitrile 245.27
    DMF 473.35
    toluene 417.48
    isobutanol 293.34
    1,4-dioxane 994.32
    methyl acetate 399.46
    THF 1041.3
    2-butanone 479.52
    n-pentanol 338.62
    sec-butanol 351.45
    n-hexane 254.51
    ethylene glycol 93.81
    NMP 514.38
    cyclohexane 244.07
    DMSO 815.59
    n-butyl acetate 431.71
    n-octanol 188.98
    chloroform 1518.19
    n-propyl acetate 288.22
    acetic acid 238.97
    dichloromethane 1259.17
    cyclohexanone 619.18
    propylene glycol 177.32
    isopropyl acetate 300.75
    DMAc 743.48
    2-ethoxyethanol 400.24
    isopentanol 386.2
    n-heptane 101.86
    ethyl formate 149.76
    1,2-dichloroethane 773.53
    n-hexanol 430.06
    2-methoxyethanol 511.86
    isobutyl acetate 242.93
    tetrachloromethane 210.86
    n-pentyl acetate 224.63
    transcutol 2020.46
    n-heptanol 147.93
    ethylbenzene 211.18
    MIBK 300.69
    2-propoxyethanol 603.25
    tert-butanol 428.9
    MTBE 647.47
    2-butoxyethanol 250.35
    propionic acid 225.98
    o-xylene 231.7
    formic acid 62.67
    diethyl ether 757.92
    m-xylene 241.53
    p-xylene 234.02
    chlorobenzene 426.85
    dimethyl carbonate 159.66
    n-octane 38.63
    formamide 88.87
    cyclopentanone 568.37
    2-pentanone 399.46
    anisole 412.3
    cyclopentyl methyl ether 587.28
    gamma-butyrolactone 538.83
    1-methoxy-2-propanol 437.51
    pyridine 605.56
    3-pentanone 386.94
    furfural 447.52
    n-dodecane 34.45
    diethylene glycol 365.25
    diisopropyl ether 243.14
    tert-amyl alcohol 452.57
    acetylacetone 438.98
    n-hexadecane 39.28
    acetophenone 300.92
    methyl propionate 356.21
    isopentyl acetate 423.4
    trichloroethylene 1160.41
    n-nonanol 178.07
    cyclohexanol 391.31
    benzyl alcohol 264.56
    2-ethylhexanol 297.21
    isooctanol 135.17
    dipropyl ether 415.11
    1,2-dichlorobenzene 371.79
    ethyl lactate 142.71
    propylene carbonate 295.21
    n-methylformamide 154.97
    2-pentanol 298.1
    n-pentane 155.27
    1-propoxy-2-propanol 434.61
    1-methoxy-2-propyl acetate 453.8
    2-(2-methoxypropoxy) propanol 407.74
    mesitylene 163.79
    ε-caprolactone 490.56
    p-cymene 136.39
    epichlorohydrin 816.44
    1,1,1-trichloroethane 690.95
    2-aminoethanol 189.76
    morpholine-4-carbaldehyde 573.44
    sulfolane 713.29
    2,2,4-trimethylpentane 88.54
    2-methyltetrahydrofuran 890.04
    n-hexyl acetate 379.65
    isooctane 65.91
    2-(2-butoxyethoxy)ethanol 529.33
    sec-butyl acetate 244.51
    tert-butyl acetate 385.43
    decalin 131.91
    glycerin 211.37
    diglyme 760.64
    acrylic acid 173.25
    isopropyl myristate 176.59
    n-butyric acid 336.68
    acetyl acetate 265.22
    di(2-ethylhexyl) phthalate 167.33
    ethyl propionate 271.39
    nitromethane 323.07
    1,2-diethoxyethane 741.57
    benzonitrile 280.21
    trioctyl phosphate 104.82
    1-bromopropane 661.05
    gamma-valerolactone 623.95
    n-decanol 142.13
    triethyl phosphate 161.4
    4-methyl-2-pentanol 201.7
    propionitrile 275.04
    vinylene carbonate 248.89
    1,1,2-trichlorotrifluoroethane 503.96
    DMS 330.74
    cumene 158.23
    2-octanol 113.72
    2-hexanone 358.23
    octyl acetate 204.06
    limonene 226.89
    1,2-dimethoxyethane 648.02
    ethyl orthosilicate 176.57
    tributyl phosphate 154.24
    diacetone alcohol 344.77
    N,N-dimethylaniline 302.94
    acrylonitrile 262.83
    aniline 345.52
    1,3-propanediol 258.62
    bromobenzene 515.1
    dibromomethane 931.65
    1,1,2,2-tetrachloroethane 1093.55
    2-methyl-cyclohexyl acetate 289.24
    tetrabutyl urea 201.45
    diisobutyl methanol 168.5
    2-phenylethanol 288.96
    styrene 276.08
    dioctyl adipate 244.93
    dimethyl sulfate 264.9
    ethyl butyrate 288.98
    methyl lactate 170.61
    butyl lactate 179.78
    diethyl carbonate 201.8
    propanediol butyl ether 276.54
    triethyl orthoformate 231.97
    p-tert-butyltoluene 137.02
    methyl 4-tert-butylbenzoate 274.96
    morpholine 940.03
    tert-butylamine 337.05
    n-dodecanol 117.01
    dimethoxymethane 447.73
    ethylene carbonate 229.39
    cyrene 290.92
    2-ethoxyethyl acetate 348.99
    2-ethylhexyl acetate 353.1
    1,2,4-trichlorobenzene 451.68
    4-methylpyridine 579.68
    dibutyl ether 375.2
    2,6-dimethyl-4-heptanol 168.5
    DEF 461.5
    dimethyl isosorbide 545.15
    tetrachloroethylene 617.57
    eugenol 248.42
    triacetin 353.2
    span 80 329.99
    1,4-butanediol 136.33
    1,1-dichloroethane 723.0
    2-methyl-1-pentanol 374.44
    methyl formate 115.59
    2-methyl-1-butanol 384.63
    n-decane 55.18
    butyronitrile 300.93
    3,7-dimethyl-1-octanol 240.54
    1-chlorooctane 193.73
    1-chlorotetradecane 89.02
    n-nonane 56.17
    undecane 41.98
    tert-butylcyclohexane 124.04
    cyclooctane 92.3
    cyclopentanol 302.59
    tetrahydropyran 960.92
    tert-amyl methyl ether 501.49
    2,5,8-trioxanonane 624.74
    1-hexene 508.39
    2-isopropoxyethanol 336.11
    2,2,2-trifluoroethanol 78.7
    methyl butyrate 314.58

    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