2-(1-Pentenyl)furan

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  • Identifiers

    CAS number
    81677-78-3

    Molecular formula
    C9H12O

    SMILES
    CCC/C=C/C1=CC=CO1

    Safety labels

  • Odor profile

    Fragrance
    Green 76.15%
    Fatty 59.58%
    Fruity 58.84%
    Vegetable 43.11%
    Spicy 41.65%
    Nutty 40.98%
    Herbal 38.32%
    Sweet 38.06%
    Earthy 32.04%
    Tropical 30.73%

     

    Flavor
    Green 78.35%
    Fatty 56.1%
    Herbal 41.62%
    Spicy 40.3%
    Fruity 39.14%
    Vegetable 35.97%
    Fresh 35.88%
    Oily 33.45%
    Fat 31.93%
    Earthy 30.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.19 (neutral)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    191°C

    Flash point

    • 56.41 ˚C est.

  • Synonyms

    • 2-(1-Pentenyl)furan
    • 2-[(1E)-pent-1-en-1-yl]furan
    • 2-((1E)-pent-1-en-1-yl)furan
    • RefChem:1060676
    • trans-2-(1-Pentenyl)furan
    • Furan, 2-(1-pentenyl)-, (E)-
    • 2-(1-pentenyl)furan (E)
    • 2-[(1E)-1-Pentenyl]furan
    • cis-2-(1-Pentenyl)furan
    • 81677-78-3
    • Furan, 2-(1-pentenyl)-
    • 2-(1-Pentenyl)-Furan
    • 1-(2-Furanyl)-1-pentene
    • 2-(trans-2'-Pentenyl)furan
    • 2-[(E)-pent-1-enyl]uran
    • 2-(1-Pentenyl)-(e)-Furan
    • 2-(1-Pentenyl)-(Z)-Furan
    • 2-(1-Pentenyl)furan, trans-
    • SCHEMBL5368783
    • CHEBI:196449
    • LKSYSJTUBQSZBS-GQCTYLIASA-N
    • 20992-69-2
    • 20992-69-2

  • Applications

    2-(1-Pentenyl)furan (CAS 81677-78-3) is primarily considered as a fragrance and cosmetic ingredient, used as a fragrance intermediate and odorant in perfumery and personal-care formulations, where it can contribute green, fresh notes and serve as a building block for more complex aroma compounds. It also functions as a synthetic intermediate in organic synthesis and as a reactive monomer or comonomer for furan-containing polymers and specialty resins used in coatings, inks, and adhesives; the pendant vinyl group enables polymerization, making it of interest for UV-curable coatings and other specialized plastics. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2799.94
    methanol 2285.41
    isopropanol 1812.2
    water 0.24
    ethyl acetate 1602.55
    n-propanol 1971.6
    acetone 2392.76
    n-butanol 1850.88
    acetonitrile 1305.71
    DMF 2195.1
    toluene 827.82
    isobutanol 1422.92
    1,4-dioxane 2469.1
    methyl acetate 1202.28
    THF 2948.17
    2-butanone 1487.59
    n-pentanol 1112.03
    sec-butanol 1393.09
    n-hexane 426.81
    ethylene glycol 406.46
    NMP 1271.21
    cyclohexane 612.72
    DMSO 2847.7
    n-butyl acetate 1231.02
    n-octanol 495.37
    chloroform 3448.12
    n-propyl acetate 724.64
    acetic acid 1354.83
    dichloromethane 3309.57
    cyclohexanone 1714.58
    propylene glycol 702.37
    isopropyl acetate 798.45
    DMAc 1160.17
    2-ethoxyethanol 911.37
    isopentanol 1367.48
    n-heptane 262.39
    ethyl formate 688.27
    1,2-dichloroethane 2190.92
    n-hexanol 1520.3
    2-methoxyethanol 1894.48
    isobutyl acetate 480.71
    tetrachloromethane 504.22
    n-pentyl acetate 486.93
    transcutol 3512.78
    n-heptanol 426.69
    ethylbenzene 348.95
    MIBK 708.36
    2-propoxyethanol 1542.7
    tert-butanol 1819.97
    MTBE 1567.28
    2-butoxyethanol 591.28
    propionic acid 963.26
    o-xylene 342.03
    formic acid 257.07
    diethyl ether 2328.08
    m-xylene 445.0
    p-xylene 377.04
    chlorobenzene 940.65
    dimethyl carbonate 422.41
    n-octane 82.71
    formamide 386.66
    cyclopentanone 1710.62
    2-pentanone 1432.54
    anisole 678.46
    cyclopentyl methyl ether 1443.75
    gamma-butyrolactone 1451.47
    1-methoxy-2-propanol 1403.14
    pyridine 1839.34
    3-pentanone 925.58
    furfural 1071.24
    n-dodecane 70.37
    diethylene glycol 988.38
    diisopropyl ether 511.16
    tert-amyl alcohol 1266.23
    acetylacetone 1148.93
    n-hexadecane 80.15
    acetophenone 510.73
    methyl propionate 1099.96
    isopentyl acetate 947.16
    trichloroethylene 3304.74
    n-nonanol 411.04
    cyclohexanol 1297.36
    benzyl alcohol 563.07
    2-ethylhexanol 718.51
    isooctanol 326.65
    dipropyl ether 997.8
    1,2-dichlorobenzene 666.66
    ethyl lactate 283.24
    propylene carbonate 826.89
    n-methylformamide 833.23
    2-pentanol 1128.03
    n-pentane 434.66
    1-propoxy-2-propanol 1061.32
    1-methoxy-2-propyl acetate 872.22
    2-(2-methoxypropoxy) propanol 617.64
    mesitylene 260.01
    ε-caprolactone 1157.67
    p-cymene 216.89
    epichlorohydrin 2050.41
    1,1,1-trichloroethane 1736.89
    2-aminoethanol 854.49
    morpholine-4-carbaldehyde 1270.8
    sulfolane 1643.22
    2,2,4-trimethylpentane 140.31
    2-methyltetrahydrofuran 2199.42
    n-hexyl acetate 787.74
    isooctane 128.51
    2-(2-butoxyethoxy)ethanol 887.75
    sec-butyl acetate 450.75
    tert-butyl acetate 754.23
    decalin 194.1
    glycerin 626.09
    diglyme 1422.41
    acrylic acid 696.64
    isopropyl myristate 300.95
    n-butyric acid 1543.61
    acetyl acetate 690.16
    di(2-ethylhexyl) phthalate 270.22
    ethyl propionate 607.38
    nitromethane 1438.69
    1,2-diethoxyethane 1300.88
    benzonitrile 683.68
    trioctyl phosphate 197.35
    1-bromopropane 1797.22
    gamma-valerolactone 1579.9
    n-decanol 306.58
    triethyl phosphate 226.06
    4-methyl-2-pentanol 483.63
    propionitrile 1096.43
    vinylene carbonate 711.77
    1,1,2-trichlorotrifluoroethane 1237.48
    DMS 562.24
    cumene 224.72
    2-octanol 295.88
    2-hexanone 841.27
    octyl acetate 372.44
    limonene 412.65
    1,2-dimethoxyethane 1590.11
    ethyl orthosilicate 237.7
    tributyl phosphate 246.32
    diacetone alcohol 740.05
    N,N-dimethylaniline 404.44
    acrylonitrile 1077.4
    aniline 896.43
    1,3-propanediol 1019.9
    bromobenzene 1098.19
    dibromomethane 2462.08
    1,1,2,2-tetrachloroethane 2449.72
    2-methyl-cyclohexyl acetate 428.09
    tetrabutyl urea 329.81
    diisobutyl methanol 340.55
    2-phenylethanol 633.3
    styrene 536.12
    dioctyl adipate 403.91
    dimethyl sulfate 524.67
    ethyl butyrate 636.09
    methyl lactate 439.86
    butyl lactate 354.0
    diethyl carbonate 373.96
    propanediol butyl ether 656.86
    triethyl orthoformate 396.8
    p-tert-butyltoluene 211.49
    methyl 4-tert-butylbenzoate 423.36
    morpholine 2976.8
    tert-butylamine 1330.21
    n-dodecanol 240.89
    dimethoxymethane 1547.97
    ethylene carbonate 641.8
    cyrene 418.03
    2-ethoxyethyl acetate 679.27
    2-ethylhexyl acetate 689.38
    1,2,4-trichlorobenzene 756.86
    4-methylpyridine 1571.89
    dibutyl ether 712.18
    2,6-dimethyl-4-heptanol 340.55
    DEF 1275.04
    dimethyl isosorbide 808.43
    tetrachloroethylene 1578.4
    eugenol 426.31
    triacetin 579.63
    span 80 595.92
    1,4-butanediol 404.32
    1,1-dichloroethane 2194.85
    2-methyl-1-pentanol 904.68
    methyl formate 597.1
    2-methyl-1-butanol 1294.94
    n-decane 111.79
    butyronitrile 1361.44
    3,7-dimethyl-1-octanol 473.32
    1-chlorooctane 379.47
    1-chlorotetradecane 159.88
    n-nonane 118.97
    undecane 85.89
    tert-butylcyclohexane 166.17
    cyclooctane 169.07
    cyclopentanol 1124.58
    tetrahydropyran 2882.64
    tert-amyl methyl ether 892.1
    2,5,8-trioxanonane 986.43
    1-hexene 1120.93
    2-isopropoxyethanol 641.43
    2,2,2-trifluoroethanol 245.57
    methyl butyrate 800.51

    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