2-(Furan-2-yl)-3-phenylprop-2-enal

  • Identifiers

    Molecular formula
    C13H10O2

    SMILES
    C1=CC=C(C=C1)C=C(C=O)C2=CC=CO2

  • Odor profile

    Fragrance
    Spicy 80.88%
    Sweet 71.13%
    Cinnamon 69.44%
    Balsamic 60.89%
    Floral 57.08%
    Warm 51.92%
    Herbal 39.39%
    Powdery 39.08%
    Honey 38.65%
    Cherry 36.4%

     

    Flavor
    Bitter 49.86%
    Balsam 24.16%
    Chocolate 23.75%
    Honey 23.55%
    Cinnamon 21.23%
    Nitrile 21.17%
    Butyric 20.09%
    Valerian 20.06%
    Genet 20.06%
    Orange flower 20.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.18 (neutral)

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    346°C

    Flash point

    • 144.41 ˚C est.

  • Synonyms

    • SCHEMBL6709707
  • Applications

    2-(Furan-2-yl)-3-phenylprop-2-enal is commonly used as an aroma chemical intermediate in perfumery and fragrance development. It serves as a building block for the synthesis of more complex fragrance ingredients and can contribute furanyl aroma characteristics. In flavor chemistry, it may be evaluated as a precursor for aroma-active compounds in specialty flavors. In cosmetics and personal-care formulations, it is used as a fragrance ingredient or intermediate. In industrial manufacturing, it can function as a reactive aldehyde building block for the preparation of fine chemicals and polymer-related intermediates, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 89.97
    methanol 122.37
    isopropanol 37.39
    water 0.07
    ethyl acetate 146.19
    n-propanol 60.38
    acetone 169.81
    n-butanol 45.55
    acetonitrile 134.06
    DMF 233.19
    toluene 117.99
    isobutanol 34.3
    1,4-dioxane 250.44
    methyl acetate 169.85
    THF 328.78
    2-butanone 194.81
    n-pentanol 38.61
    sec-butanol 32.83
    n-hexane 1.0
    ethylene glycol 54.39
    NMP 148.03
    cyclohexane 3.83
    DMSO 366.17
    n-butyl acetate 66.88
    n-octanol 17.34
    chloroform 338.17
    n-propyl acetate 74.84
    acetic acid 89.59
    dichloromethane 443.24
    cyclohexanone 170.08
    propylene glycol 57.37
    isopropyl acetate 71.26
    DMAc 307.83
    2-ethoxyethanol 101.94
    isopentanol 42.65
    n-heptane 2.61
    ethyl formate 76.85
    1,2-dichloroethane 321.72
    n-hexanol 37.72
    2-methoxyethanol 212.08
    isobutyl acetate 54.45
    tetrachloromethane 13.15
    n-pentyl acetate 34.44
    transcutol 589.12
    n-heptanol 18.86
    ethylbenzene 45.91
    MIBK 76.8
    2-propoxyethanol 98.14
    tert-butanol 43.73
    MTBE 51.67
    2-butoxyethanol 53.57
    propionic acid 67.84
    o-xylene 48.18
    formic acid 37.29
    diethyl ether 75.31
    m-xylene 48.97
    p-xylene 44.76
    chlorobenzene 120.98
    dimethyl carbonate 95.88
    n-octane 1.22
    formamide 102.56
    cyclopentanone 239.43
    2-pentanone 118.71
    anisole 144.4
    cyclopentyl methyl ether 97.83
    gamma-butyrolactone 248.6
    1-methoxy-2-propanol 129.21
    pyridine 369.76
    3-pentanone 104.26
    furfural 257.05
    n-dodecane 2.02
    diethylene glycol 106.2
    diisopropyl ether 19.63
    tert-amyl alcohol 36.21
    acetylacetone 180.35
    n-hexadecane 2.43
    acetophenone 116.64
    methyl propionate 144.39
    isopentyl acetate 69.25
    trichloroethylene 584.03
    n-nonanol 18.44
    cyclohexanol 42.24
    benzyl alcohol 95.03
    2-ethylhexanol 29.5
    isooctanol 19.13
    dipropyl ether 41.16
    1,2-dichlorobenzene 97.81
    ethyl lactate 45.16
    propylene carbonate 121.76
    n-methylformamide 131.67
    2-pentanol 26.14
    n-pentane 0.98
    1-propoxy-2-propanol 62.04
    1-methoxy-2-propyl acetate 99.29
    2-(2-methoxypropoxy) propanol 89.67
    mesitylene 26.15
    ε-caprolactone 129.18
    p-cymene 24.87
    epichlorohydrin 426.54
    1,1,1-trichloroethane 133.13
    2-aminoethanol 77.03
    morpholine-4-carbaldehyde 206.89
    sulfolane 257.82
    2,2,4-trimethylpentane 2.62
    2-methyltetrahydrofuran 147.59
    n-hexyl acetate 51.79
    isooctane 2.03
    2-(2-butoxyethoxy)ethanol 112.06
    sec-butyl acetate 58.23
    tert-butyl acetate 77.11
    decalin 6.09
    glycerin 89.83
    diglyme 254.01
    acrylic acid 79.37
    isopropyl myristate 26.97
    n-butyric acid 76.06
    acetyl acetate 94.21
    di(2-ethylhexyl) phthalate 31.13
    ethyl propionate 77.75
    nitromethane 238.41
    1,2-diethoxyethane 114.44
    benzonitrile 112.2
    trioctyl phosphate 17.7
    1-bromopropane 88.85
    gamma-valerolactone 250.0
    n-decanol 15.21
    triethyl phosphate 37.32
    4-methyl-2-pentanol 22.65
    propionitrile 104.83
    vinylene carbonate 123.47
    1,1,2-trichlorotrifluoroethane 214.02
    DMS 90.39
    cumene 28.42
    2-octanol 11.29
    2-hexanone 77.42
    octyl acetate 30.62
    limonene 32.44
    1,2-dimethoxyethane 196.2
    ethyl orthosilicate 34.04
    tributyl phosphate 24.21
    diacetone alcohol 100.04
    N,N-dimethylaniline 74.77
    acrylonitrile 175.77
    aniline 119.98
    1,3-propanediol 85.47
    bromobenzene 131.13
    dibromomethane 208.17
    1,1,2,2-tetrachloroethane 350.59
    2-methyl-cyclohexyl acetate 55.46
    tetrabutyl urea 36.88
    diisobutyl methanol 22.65
    2-phenylethanol 69.2
    styrene 72.85
    dioctyl adipate 47.47
    dimethyl sulfate 130.63
    ethyl butyrate 64.31
    methyl lactate 74.99
    butyl lactate 36.62
    diethyl carbonate 56.33
    propanediol butyl ether 55.98
    triethyl orthoformate 46.28
    p-tert-butyltoluene 23.22
    methyl 4-tert-butylbenzoate 74.72
    morpholine 251.88
    tert-butylamine 21.92
    n-dodecanol 12.74
    dimethoxymethane 218.0
    ethylene carbonate 88.82
    cyrene 82.94
    2-ethoxyethyl acetate 77.24
    2-ethylhexyl acetate 51.96
    1,2,4-trichlorobenzene 129.87
    4-methylpyridine 208.11
    dibutyl ether 33.75
    2,6-dimethyl-4-heptanol 22.65
    DEF 127.44
    dimethyl isosorbide 143.1
    tetrachloroethylene 181.99
    eugenol 74.57
    triacetin 81.03
    span 80 54.27
    1,4-butanediol 30.68
    1,1-dichloroethane 164.14
    2-methyl-1-pentanol 42.39
    methyl formate 110.58
    2-methyl-1-butanol 37.68
    n-decane 2.67
    butyronitrile 78.08
    3,7-dimethyl-1-octanol 27.67
    1-chlorooctane 16.48
    1-chlorotetradecane 8.74
    n-nonane 2.08
    undecane 2.28
    tert-butylcyclohexane 5.28
    cyclooctane 1.5
    cyclopentanol 44.78
    tetrahydropyran 152.89
    tert-amyl methyl ether 45.26
    2,5,8-trioxanonane 175.64
    1-hexene 11.72
    2-isopropoxyethanol 65.36
    2,2,2-trifluoroethanol 32.78
    methyl butyrate 90.9

    Scent© AI

1 of 4
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