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

  • Identifiers

    Molecular formula
    C8H8O2

    SMILES
    CC(=CC1=COC=C1)C=O

  • Odor profile

    Fragrance
    Spicy 80.73%
    Herbal 55.56%
    Cinnamon 54.14%
    Woody 52.24%
    Warm 45.69%
    Nutty 45.48%
    Sweet 43.46%
    Green 34.79%
    Almond 33.37%
    Caramellic 29.69%

     

    Flavor
    Woody 51.9%
    Herbal 47.05%
    Spice 39.84%
    Spicy 28.09%
    Cinnamon 24.32%
    Minty 24.01%
    Tobacco 22.81%
    Sweet 22.43%
    Nutty 21.56%
    Phenolic 20.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.78 (weak acid)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 76.71 ˚C est.

  • Synonyms

    • DTXSID601299385
    • AKOS017883835
    • 28043-36-9
  • Applications

    3-(Furan-3-yl)-2-methylprop-2-enal is primarily used as an aroma ingredient and a fragrance intermediate in perfumery; it is also employed as a fragrance component in cosmetics and personal care formulations; in consumer products it may be used in household cleaners and air fresheners to impart scent; in industrial manufacturing it serves as a synthetic intermediate for functional polymers and specialty resins; it is also regarded as a building block for polymers and specialty plastics; in coatings and inks it can act as a fragrance additive or scent-active precursor for surface coatings; CAS number:

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 608.95
    methanol 963.84
    isopropanol 376.74
    water 19.35
    ethyl acetate 350.01
    n-propanol 376.41
    acetone 627.51
    n-butanol 330.54
    acetonitrile 479.73
    DMF 1007.57
    toluene 188.91
    isobutanol 280.15
    1,4-dioxane 515.2
    methyl acetate 420.99
    THF 583.63
    2-butanone 452.15
    n-pentanol 224.94
    sec-butanol 289.15
    n-hexane 21.19
    ethylene glycol 325.9
    NMP 682.59
    cyclohexane 24.05
    DMSO 656.14
    n-butyl acetate 180.15
    n-octanol 134.23
    chloroform 652.57
    n-propyl acetate 207.68
    acetic acid 542.59
    dichloromethane 734.21
    cyclohexanone 387.45
    propylene glycol 261.35
    isopropyl acetate 190.73
    DMAc 754.84
    2-ethoxyethanol 484.04
    isopentanol 275.97
    n-heptane 26.44
    ethyl formate 273.92
    1,2-dichloroethane 433.93
    n-hexanol 215.59
    2-methoxyethanol 741.88
    isobutyl acetate 153.03
    tetrachloromethane 113.45
    n-pentyl acetate 118.16
    transcutol 856.02
    n-heptanol 120.42
    ethylbenzene 108.73
    MIBK 230.92
    2-propoxyethanol 436.65
    tert-butanol 429.21
    MTBE 311.21
    2-butoxyethanol 236.43
    propionic acid 345.36
    o-xylene 142.88
    formic acid 390.79
    diethyl ether 298.64
    m-xylene 151.0
    p-xylene 128.77
    chlorobenzene 212.17
    dimethyl carbonate 211.22
    n-octane 14.17
    formamide 471.67
    cyclopentanone 516.02
    2-pentanone 349.17
    anisole 283.0
    cyclopentyl methyl ether 298.35
    gamma-butyrolactone 513.08
    1-methoxy-2-propanol 520.32
    pyridine 383.6
    3-pentanone 251.52
    furfural 518.92
    n-dodecane 15.09
    diethylene glycol 445.81
    diisopropyl ether 94.7
    tert-amyl alcohol 336.74
    acetylacetone 362.91
    n-hexadecane 16.63
    acetophenone 246.71
    methyl propionate 308.61
    isopentyl acetate 171.89
    trichloroethylene 786.81
    n-nonanol 113.15
    cyclohexanol 211.96
    benzyl alcohol 229.55
    2-ethylhexanol 128.62
    isooctanol 103.71
    dipropyl ether 144.63
    1,2-dichlorobenzene 201.41
    ethyl lactate 145.66
    propylene carbonate 278.57
    n-methylformamide 524.24
    2-pentanol 216.76
    n-pentane 25.8
    1-propoxy-2-propanol 260.35
    1-methoxy-2-propyl acetate 221.91
    2-(2-methoxypropoxy) propanol 239.92
    mesitylene 98.62
    ε-caprolactone 305.26
    p-cymene 78.69
    epichlorohydrin 616.8
    1,1,1-trichloroethane 389.39
    2-aminoethanol 383.51
    morpholine-4-carbaldehyde 664.08
    sulfolane 560.01
    2,2,4-trimethylpentane 27.19
    2-methyltetrahydrofuran 424.44
    n-hexyl acetate 186.49
    isooctane 22.61
    2-(2-butoxyethoxy)ethanol 291.61
    sec-butyl acetate 148.65
    tert-butyl acetate 222.89
    decalin 26.46
    glycerin 368.53
    diglyme 524.1
    acrylic acid 364.51
    isopropyl myristate 87.06
    n-butyric acid 345.27
    acetyl acetate 208.06
    di(2-ethylhexyl) phthalate 91.97
    ethyl propionate 178.76
    nitromethane 744.06
    1,2-diethoxyethane 232.05
    benzonitrile 226.2
    trioctyl phosphate 66.62
    1-bromopropane 231.96
    gamma-valerolactone 575.26
    n-decanol 87.7
    triethyl phosphate 90.24
    4-methyl-2-pentanol 141.02
    propionitrile 315.58
    vinylene carbonate 278.06
    1,1,2-trichlorotrifluoroethane 454.47
    DMS 188.01
    cumene 87.25
    2-octanol 84.35
    2-hexanone 219.2
    octyl acetate 105.38
    limonene 106.35
    1,2-dimethoxyethane 525.2
    ethyl orthosilicate 87.52
    tributyl phosphate 76.75
    diacetone alcohol 302.16
    N,N-dimethylaniline 196.82
    acrylonitrile 419.25
    aniline 245.22
    1,3-propanediol 410.91
    bromobenzene 211.46
    dibromomethane 420.52
    1,1,2,2-tetrachloroethane 476.33
    2-methyl-cyclohexyl acetate 132.74
    tetrabutyl urea 108.85
    diisobutyl methanol 93.55
    2-phenylethanol 184.92
    styrene 134.65
    dioctyl adipate 119.97
    dimethyl sulfate 302.66
    ethyl butyrate 153.84
    methyl lactate 216.77
    butyl lactate 112.41
    diethyl carbonate 117.75
    propanediol butyl ether 231.36
    triethyl orthoformate 111.01
    p-tert-butyltoluene 78.99
    methyl 4-tert-butylbenzoate 193.31
    morpholine 543.06
    tert-butylamine 241.78
    n-dodecanol 70.04
    dimethoxymethane 505.01
    ethylene carbonate 203.91
    cyrene 234.61
    2-ethoxyethyl acetate 179.78
    2-ethylhexyl acetate 130.48
    1,2,4-trichlorobenzene 240.2
    4-methylpyridine 373.65
    dibutyl ether 117.45
    2,6-dimethyl-4-heptanol 93.55
    DEF 403.15
    dimethyl isosorbide 300.8
    tetrachloroethylene 344.16
    eugenol 202.97
    triacetin 202.34
    span 80 173.0
    1,4-butanediol 218.8
    1,1-dichloroethane 447.54
    2-methyl-1-pentanol 209.76
    methyl formate 434.4
    2-methyl-1-butanol 262.24
    n-decane 22.53
    butyronitrile 285.57
    3,7-dimethyl-1-octanol 131.99
    1-chlorooctane 82.34
    1-chlorotetradecane 39.3
    n-nonane 21.43
    undecane 17.94
    tert-butylcyclohexane 32.98
    cyclooctane 13.23
    cyclopentanol 248.42
    tetrahydropyran 353.7
    tert-amyl methyl ether 227.83
    2,5,8-trioxanonane 356.81
    1-hexene 85.45
    2-isopropoxyethanol 329.28
    2,2,2-trifluoroethanol 248.46
    methyl butyrate 236.09

    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
Name CAS Botanical Proportion
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.08%