3-(Furan-2-yl)propanal

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  • Identifiers

    CAS number
    4543-51-5

    Molecular formula
    C7H8O2

    SMILES
    C1=COC(=C1)CCC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 70.49%
    Fruity 62.34%
    Spicy 45.56%
    Nutty 42.42%
    Caramellic 42.15%
    Sweet 38.96%
    Fatty 37.64%
    Vegetable 37.31%
    Woody 34.97%
    Fresh 33.94%

     

    Flavor
    Sweet 52.76%
    Coffee 39.34%
    Fatty 39.07%
    Caramel 37.57%
    Almond 37.08%
    Musty 34.83%
    Woody 34.57%
    Spicy 32.88%
    Chocolate 31.98%
    Nutty 29.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    5.52 (weak acid)

    Molecular weight
    124.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    196°C

    Flash point

    • 69.56 ˚C est.

  • Synonyms

    • 3-(Furan-2-yl)propanal
    • RefChem:495236
    • 961-051-0
    • 2-Furanpropanal
    • 4543-51-5
    • 3-(2-furyl)propanal
    • 3-(2-furyl)-propionaldehyde
    • SCHEMBL327550
    • SCHEMBL983428
    • 3-(furan-2-yl)-propionaldehyde
    • DTXSID20472023
    • AKOS012321795
    • EN300-1829513
    • Z3230564015
    • 4543-51-5

  • Applications

    3-(Furan-2-yl)propanal, CAS 4543-51-5, is an aldehyde bearing a furan ring used mainly as an intermediate and fragrance component in chemical synthesis. Real-world applications include: (1) perfumery/fragrance: serving as a precursor for fruit- and warm-note fragrance compounds used in perfumes and personal care products; (2) flavor: may be evaluated as a precursor for aroma-active compounds in flavor formulations for foods; (3) cosmetics/personal care: incorporated to provide fragrance in cosmetic formulations; (4) household products: added to detergents and cleaners to impart characteristic odors; (5) industrial manufacturing: used as an intermediate in the synthesis of furan-containing compounds or as a building block in research and development; (6) polymers/plastics: a potential precursor for furan-based polymers or as a functional monomer in specialty resins; note that use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 818.7
    methanol 1450.65
    isopropanol 455.45
    water 19.61
    ethyl acetate 817.69
    n-propanol 449.48
    acetone 1325.34
    n-butanol 373.9
    acetonitrile 1421.0
    DMF 1563.7
    toluene 174.5
    isobutanol 331.76
    1,4-dioxane 1081.95
    methyl acetate 1019.21
    THF 1068.86
    2-butanone 896.66
    n-pentanol 255.64
    sec-butanol 350.85
    n-hexane 20.41
    ethylene glycol 297.58
    NMP 1347.77
    cyclohexane 33.58
    DMSO 2409.98
    n-butyl acetate 282.61
    n-octanol 126.17
    chloroform 1306.2
    n-propyl acetate 373.41
    acetic acid 1059.13
    dichloromethane 2054.83
    cyclohexanone 813.74
    propylene glycol 218.0
    isopropyl acetate 337.8
    DMAc 1453.42
    2-ethoxyethanol 581.69
    isopentanol 307.75
    n-heptane 21.74
    ethyl formate 499.03
    1,2-dichloroethane 1046.28
    n-hexanol 187.24
    2-methoxyethanol 1002.05
    isobutyl acetate 211.13
    tetrachloromethane 149.0
    n-pentyl acetate 166.44
    transcutol 1874.82
    n-heptanol 88.05
    ethylbenzene 104.78
    MIBK 264.01
    2-propoxyethanol 414.82
    tert-butanol 484.44
    MTBE 410.08
    2-butoxyethanol 213.0
    propionic acid 644.48
    o-xylene 141.13
    formic acid 563.36
    diethyl ether 443.19
    m-xylene 118.64
    p-xylene 150.84
    chlorobenzene 362.27
    dimethyl carbonate 351.45
    n-octane 10.84
    formamide 981.11
    cyclopentanone 1090.24
    2-pentanone 536.35
    anisole 384.84
    cyclopentyl methyl ether 417.97
    gamma-butyrolactone 1350.07
    1-methoxy-2-propanol 541.22
    pyridine 846.97
    3-pentanone 435.82
    furfural 1060.31
    n-dodecane 13.4
    diethylene glycol 459.4
    diisopropyl ether 106.61
    tert-amyl alcohol 379.02
    acetylacetone 673.92
    n-hexadecane 15.08
    acetophenone 342.62
    methyl propionate 628.74
    isopentyl acetate 245.72
    trichloroethylene 1732.71
    n-nonanol 105.21
    cyclohexanol 304.37
    benzyl alcohol 279.45
    2-ethylhexanol 121.02
    isooctanol 81.27
    dipropyl ether 162.94
    1,2-dichlorobenzene 333.82
    ethyl lactate 171.75
    propylene carbonate 585.74
    n-methylformamide 925.84
    2-pentanol 211.93
    n-pentane 20.91
    1-propoxy-2-propanol 251.16
    1-methoxy-2-propyl acetate 302.57
    2-(2-methoxypropoxy) propanol 297.43
    mesitylene 77.62
    ε-caprolactone 643.19
    p-cymene 74.31
    epichlorohydrin 1460.67
    1,1,1-trichloroethane 677.02
    2-aminoethanol 420.45
    morpholine-4-carbaldehyde 1182.23
    sulfolane 1417.08
    2,2,4-trimethylpentane 21.73
    2-methyltetrahydrofuran 753.2
    n-hexyl acetate 269.16
    isooctane 13.94
    2-(2-butoxyethoxy)ethanol 396.99
    sec-butyl acetate 227.98
    tert-butyl acetate 309.66
    decalin 28.13
    glycerin 347.65
    diglyme 825.2
    acrylic acid 618.89
    isopropyl myristate 103.81
    n-butyric acid 624.07
    acetyl acetate 473.57
    di(2-ethylhexyl) phthalate 109.41
    ethyl propionate 326.2
    nitromethane 2128.2
    1,2-diethoxyethane 451.34
    benzonitrile 414.07
    trioctyl phosphate 73.94
    1-bromopropane 411.43
    gamma-valerolactone 1173.03
    n-decanol 79.03
    triethyl phosphate 131.35
    4-methyl-2-pentanol 119.11
    propionitrile 671.32
    vinylene carbonate 537.84
    1,1,2-trichlorotrifluoroethane 711.07
    DMS 331.27
    cumene 80.7
    2-octanol 68.85
    2-hexanone 339.26
    octyl acetate 130.58
    limonene 107.34
    1,2-dimethoxyethane 849.25
    ethyl orthosilicate 120.63
    tributyl phosphate 106.26
    diacetone alcohol 354.93
    N,N-dimethylaniline 233.26
    acrylonitrile 959.61
    aniline 320.63
    1,3-propanediol 496.98
    bromobenzene 375.53
    dibromomethane 938.87
    1,1,2,2-tetrachloroethane 993.18
    2-methyl-cyclohexyl acetate 176.55
    tetrabutyl urea 145.3
    diisobutyl methanol 81.5
    2-phenylethanol 205.14
    styrene 164.2
    dioctyl adipate 168.86
    dimethyl sulfate 570.39
    ethyl butyrate 248.46
    methyl lactate 267.71
    butyl lactate 141.05
    diethyl carbonate 196.08
    propanediol butyl ether 252.55
    triethyl orthoformate 161.68
    p-tert-butyltoluene 68.04
    methyl 4-tert-butylbenzoate 232.84
    morpholine 1071.35
    tert-butylamine 273.46
    n-dodecanol 61.58
    dimethoxymethane 723.88
    ethylene carbonate 442.36
    cyrene 293.94
    2-ethoxyethyl acetate 297.47
    2-ethylhexyl acetate 188.97
    1,2,4-trichlorobenzene 395.51
    4-methylpyridine 685.08
    dibutyl ether 170.11
    2,6-dimethyl-4-heptanol 81.5
    DEF 762.39
    dimethyl isosorbide 453.42
    tetrachloroethylene 661.16
    eugenol 236.26
    triacetin 358.82
    span 80 209.41
    1,4-butanediol 215.35
    1,1-dichloroethane 891.05
    2-methyl-1-pentanol 235.87
    methyl formate 730.21
    2-methyl-1-butanol 305.43
    n-decane 19.43
    butyronitrile 541.42
    3,7-dimethyl-1-octanol 132.71
    1-chlorooctane 84.68
    1-chlorotetradecane 38.08
    n-nonane 18.02
    undecane 15.76
    tert-butylcyclohexane 27.77
    cyclooctane 12.1
    cyclopentanol 383.31
    tetrahydropyran 678.13
    tert-amyl methyl ether 277.25
    2,5,8-trioxanonane 567.56
    1-hexene 100.15
    2-isopropoxyethanol 362.82
    2,2,2-trifluoroethanol 380.8
    methyl butyrate 458.63

    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