2-Phenyl-3-(2-furyl)prop-2-enal

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  • Identifiers

    CAS number
    57568-60-2

    Molecular formula
    C13H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 76.5%
    Cinnamon 58.84%
    Balsamic 51.73%
    Sweet 51.32%
    Warm 46.15%
    Floral 45.64%
    Honey 38.61%
    Powdery 35.02%
    Vanilla 35.02%
    Nutty 34.39%

     

    Flavor
    Bitter 43.22%
    Honey 28.7%
    Chocolate 28.41%
    Cinnamon 27.37%
    Balsam 26.86%
    Sweet 25.15%
    Nutty 24.21%
    Cocoa 23.93%
    Nitrile 22.08%
    Butyric 20.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.93 (weak acid)

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 56 - 57 °C

    Boiling point

    • 325.00 to 327.00 °C. @ 760.00 mm Hg

    Flash point

    • 146.76 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 57568-60-2
    • Spicy acrolein
    • 2-Phenyl-3-(2-furyl)prop-2-enal
    • 3-(2-FURYL)-2-PHENYLPROPENAL
    • 2-Furfurylidenephenylacetaldehyde
    • alpha-Phenyl-2-furanacrolein
    • FEMA No. 3586
    • 3-(2-Furyl)-2-phenylprop-2-enal
    • CHD146V2O2
    • 2-Furanacrolein, alpha-phenyl-
    • 65545-81-5
    • 3-(Furan-2-yl)-2-phenylacrylaldehyde
    • alpha-(2-Furanylmethylene)benzeneacetaldehyde
    • (2E)-3-(furan-2-yl)-2-phenylprop-2-enal
    • 3-(2-Furanyl)-2-phenyl-2-propenal
    • Benzeneacetaldehyde, .alpha.-(2-furanylmethylene)-
    • Benzeneacetaldehyde, alpha-(2-furanylmethylene)-, (E)-
    • (E)-3-(furan-2-yl)-2-phenylprop-2-enal
    • Benzeneacetaldehyde, alpha-(2-furanylmethylene)-
    • DTXSID301009896
    • .ALPHA.-PHENYL-2-FURANACROLEIN
    • 2-FURANACROLEIN, .ALPHA.-PHENYL-
    • 2-PHENYL-3-(2-FURYL)PROP-2-ENAL [FHFI]
    • 2-PHENYL-3-(2-FURYL)PROP-2-ENAL, TRANS-
    • .ALPHA.-(2-FURANYLMETHYLENE)BENZENEACETALDEHYDE
    • BENZENEACETALDEHYDE, .ALPHA.-(2-FURANYLMETHYLENE)-, (E)-
    • DTXSID3069194
    • UNII-CHD146V2O2
    • 3-(2-Furyl)-2-phenylacrolein
    • DTXCID1042237
    • FEMA 3586
    • 2-phenyl-3-(2-furyl)-propenal
    • DTXCID50211780
    • CHEBI:173989
    • AKOS022343339
    • AS-62958
    • (E)-3-(uran-2-yl)-2-phenylprop-2-enal
    • CS-0212802
    • NS00122606
    • alpha-(2-Furanylmethylene)-Benzeneacetaldehyde
    • a-(2-Furanylmethylene)benzeneacetaldehyde, 9CI
    • Q27275458

  • Applications

    2-Phenyl-3-(2-furyl)prop-2-enal, CAS 57568-60-2, is typically used as an aroma/flavor intermediate in industrial synthesis; in practice it is commonly evaluated as a fragrance ingredient for perfumery and personal care formulations, contributing to complex aroma profiles; it may serve as a reactive aldehyde building block in specialty polymers and resins, enabling fragrance-containing materials and functional coatings; it can act as an intermediate for the synthesis of other fragrance- or flavor-related compounds in industrial manufacturing; its use in household cleaning products as a fragrance additive is possible, subject to local regulations and formation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.02
    methanol 70.17
    isopropanol 20.79
    water 0.1
    ethyl acetate 83.24
    n-propanol 34.2
    acetone 84.59
    n-butanol 22.99
    acetonitrile 89.74
    DMF 132.85
    toluene 46.22
    isobutanol 19.23
    1,4-dioxane 163.02
    methyl acetate 118.28
    THF 172.5
    2-butanone 114.37
    n-pentanol 21.81
    sec-butanol 19.58
    n-hexane 0.47
    ethylene glycol 40.69
    NMP 73.57
    cyclohexane 1.64
    DMSO 235.93
    n-butyl acetate 40.43
    n-octanol 11.4
    chloroform 224.63
    n-propyl acetate 50.98
    acetic acid 59.9
    dichloromethane 284.56
    cyclohexanone 86.45
    propylene glycol 36.09
    isopropyl acetate 44.45
    DMAc 229.25
    2-ethoxyethanol 72.21
    isopentanol 24.31
    n-heptane 1.59
    ethyl formate 48.58
    1,2-dichloroethane 196.4
    n-hexanol 22.19
    2-methoxyethanol 126.57
    isobutyl acetate 38.01
    tetrachloromethane 8.44
    n-pentyl acetate 22.21
    transcutol 368.63
    n-heptanol 12.09
    ethylbenzene 29.19
    MIBK 47.55
    2-propoxyethanol 64.23
    tert-butanol 28.76
    MTBE 31.45
    2-butoxyethanol 36.18
    propionic acid 45.71
    o-xylene 27.35
    formic acid 26.2
    diethyl ether 37.55
    m-xylene 24.54
    p-xylene 29.94
    chlorobenzene 64.99
    dimethyl carbonate 69.07
    n-octane 0.92
    formamide 76.67
    cyclopentanone 121.21
    2-pentanone 59.3
    anisole 104.77
    cyclopentyl methyl ether 44.99
    gamma-butyrolactone 143.1
    1-methoxy-2-propanol 79.16
    pyridine 235.18
    3-pentanone 61.54
    furfural 158.0
    n-dodecane 1.66
    diethylene glycol 74.45
    diisopropyl ether 12.02
    tert-amyl alcohol 24.68
    acetylacetone 116.01
    n-hexadecane 1.94
    acetophenone 86.31
    methyl propionate 87.85
    isopentyl acetate 44.51
    trichloroethylene 370.3
    n-nonanol 12.98
    cyclohexanol 20.71
    benzyl alcohol 63.54
    2-ethylhexanol 18.52
    isooctanol 13.5
    dipropyl ether 26.59
    1,2-dichlorobenzene 63.86
    ethyl lactate 33.46
    propylene carbonate 73.72
    n-methylformamide 72.27
    2-pentanol 14.1
    n-pentane 0.43
    1-propoxy-2-propanol 40.17
    1-methoxy-2-propyl acetate 66.51
    2-(2-methoxypropoxy) propanol 68.49
    mesitylene 15.48
    ε-caprolactone 72.68
    p-cymene 17.74
    epichlorohydrin 246.31
    1,1,1-trichloroethane 81.05
    2-aminoethanol 51.9
    morpholine-4-carbaldehyde 137.73
    sulfolane 159.23
    2,2,4-trimethylpentane 1.52
    2-methyltetrahydrofuran 77.26
    n-hexyl acetate 33.91
    isooctane 1.15
    2-(2-butoxyethoxy)ethanol 78.76
    sec-butyl acetate 40.88
    tert-butyl acetate 52.01
    decalin 3.74
    glycerin 60.9
    diglyme 181.93
    acrylic acid 55.52
    isopropyl myristate 20.5
    n-butyric acid 45.63
    acetyl acetate 66.46
    di(2-ethylhexyl) phthalate 23.35
    ethyl propionate 55.44
    nitromethane 181.51
    1,2-diethoxyethane 73.52
    benzonitrile 72.24
    trioctyl phosphate 13.2
    1-bromopropane 45.43
    gamma-valerolactone 142.16
    n-decanol 11.0
    triethyl phosphate 29.69
    4-methyl-2-pentanol 14.17
    propionitrile 69.96
    vinylene carbonate 80.73
    1,1,2-trichlorotrifluoroethane 138.74
    DMS 66.07
    cumene 20.31
    2-octanol 7.68
    2-hexanone 49.26
    octyl acetate 22.08
    limonene 20.98
    1,2-dimethoxyethane 145.43
    ethyl orthosilicate 26.52
    tributyl phosphate 17.47
    diacetone alcohol 66.33
    N,N-dimethylaniline 56.28
    acrylonitrile 126.39
    aniline 61.3
    1,3-propanediol 50.73
    bromobenzene 66.73
    dibromomethane 120.15
    1,1,2,2-tetrachloroethane 218.8
    2-methyl-cyclohexyl acetate 42.54
    tetrabutyl urea 27.23
    diisobutyl methanol 16.14
    2-phenylethanol 46.06
    styrene 42.88
    dioctyl adipate 35.74
    dimethyl sulfate 97.99
    ethyl butyrate 43.69
    methyl lactate 50.68
    butyl lactate 24.36
    diethyl carbonate 41.07
    propanediol butyl ether 36.18
    triethyl orthoformate 33.31
    p-tert-butyltoluene 16.64
    methyl 4-tert-butylbenzoate 58.36
    morpholine 148.23
    tert-butylamine 13.45
    n-dodecanol 9.54
    dimethoxymethane 133.01
    ethylene carbonate 57.05
    cyrene 62.77
    2-ethoxyethyl acetate 51.64
    2-ethylhexyl acetate 33.69
    1,2,4-trichlorobenzene 82.97
    4-methylpyridine 107.81
    dibutyl ether 22.69
    2,6-dimethyl-4-heptanol 16.14
    DEF 72.17
    dimethyl isosorbide 113.26
    tetrachloroethylene 115.55
    eugenol 58.14
    triacetin 62.34
    span 80 38.56
    1,4-butanediol 21.09
    1,1-dichloroethane 90.42
    2-methyl-1-pentanol 26.07
    methyl formate 67.58
    2-methyl-1-butanol 20.78
    n-decane 2.07
    butyronitrile 41.88
    3,7-dimethyl-1-octanol 18.87
    1-chlorooctane 11.21
    1-chlorotetradecane 6.46
    n-nonane 1.52
    undecane 1.83
    tert-butylcyclohexane 3.43
    cyclooctane 0.68
    cyclopentanol 23.2
    tetrahydropyran 79.71
    tert-amyl methyl ether 28.48
    2,5,8-trioxanonane 134.23
    1-hexene 5.8
    2-isopropoxyethanol 47.45
    2,2,2-trifluoroethanol 26.23
    methyl butyrate 61.79

    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