2-(2-Furanyl)-3-methyl-2-butenal

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  • Identifiers

    CAS number
    31681-28-4

    Molecular formula
    C9H10O2

    SMILES
    CC(=C(C=O)C1=CC=CO1)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 63.54%
    Herbal 62.9%
    Nutty 49.43%
    Sweet 47.33%
    Woody 44.6%
    Mint 39.7%
    Caramellic 37.24%
    Green 35.65%
    Warm 34.59%
    Tobacco 31.95%

     

    Flavor
    Herbal 37.99%
    Nutty 34.31%
    Sweet 32.88%
    Tobacco 30.87%
    Woody 30.66%
    Caramel 29.01%
    Spice 28.31%
    Minty 26.51%
    Phenolic 25.41%
    Earthy 23.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.64 (neutral)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    241°C

    Flash point

    • 76.25 ˚C est.

  • Synonyms

    • 2-(2-Furanyl)-3-methyl-2-butenal
    • 2-(furan-2-yl)-3-methylbut-2-enal
    • 2-(2-Furyl)-3-methyl-2-butenal
    • 2-Furanacetaldehyde, .alpha.-isopropylidene-
    • 31681-28-4
    • SCHEMBL28514441
    • DTXSID40339361
    • CHEBI:179655
    • JWRBBXQUYVJOLN-UHFFFAOYSA-N
    • a-Isopropylidene-2-furanacetaldehyde
    • 2-(uran-2-yl)-3-methylbut-2-enal
    • 2-(2-Furyl)-3-methyl-2-butenal #
    • a-(1-Methylethylidene)-2-furanacetaldehyde, 9CI
    • 31681-28-4

  • Applications

    2-(2-Furanyl)-3-methyl-2-butenal (CAS 31681-28-4) is primarily used as a fragrance ingredient in perfumery, delivering caramel-like and smoky notes and contributing warmth to cosmetic formulations; it is also considered a precursor for other aroma compounds in cosmetics and personal care. The chemical may be evaluated for fragrance applications in household and cleaning products as an odorant additive, and in industrial manufacturing as an intermediate for fragrance synthesis. In the field of polymers/plastics, coatings and inks it can serve as an odorant additive or a related aroma precursor. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 513.08
    methanol 606.51
    isopropanol 441.31
    water 7.29
    ethyl acetate 519.39
    n-propanol 478.62
    acetone 1042.98
    n-butanol 383.07
    acetonitrile 823.14
    DMF 1377.1
    toluene 268.97
    isobutanol 363.59
    1,4-dioxane 1005.22
    methyl acetate 677.24
    THF 1553.23
    2-butanone 738.11
    n-pentanol 247.08
    sec-butanol 396.15
    n-hexane 61.12
    ethylene glycol 241.02
    NMP 1100.93
    cyclohexane 89.92
    DMSO 996.27
    n-butyl acetate 210.71
    n-octanol 173.23
    chloroform 1480.49
    n-propyl acetate 271.56
    acetic acid 613.21
    dichloromethane 1360.32
    cyclohexanone 853.72
    propylene glycol 265.16
    isopropyl acetate 275.31
    DMAc 783.96
    2-ethoxyethanol 356.21
    isopentanol 286.31
    n-heptane 40.49
    ethyl formate 379.67
    1,2-dichloroethane 849.44
    n-hexanol 265.23
    2-methoxyethanol 719.24
    isobutyl acetate 190.56
    tetrachloromethane 221.56
    n-pentyl acetate 170.64
    transcutol 585.51
    n-heptanol 142.14
    ethylbenzene 163.44
    MIBK 311.77
    2-propoxyethanol 430.7
    tert-butanol 446.64
    MTBE 361.88
    2-butoxyethanol 230.1
    propionic acid 507.57
    o-xylene 176.47
    formic acid 203.29
    diethyl ether 451.41
    m-xylene 209.25
    p-xylene 214.77
    chlorobenzene 440.21
    dimethyl carbonate 292.74
    n-octane 24.73
    formamide 312.91
    cyclopentanone 1227.55
    2-pentanone 526.71
    anisole 350.11
    cyclopentyl methyl ether 622.21
    gamma-butyrolactone 1230.42
    1-methoxy-2-propanol 557.83
    pyridine 662.66
    3-pentanone 440.27
    furfural 812.28
    n-dodecane 24.72
    diethylene glycol 410.13
    diisopropyl ether 130.31
    tert-amyl alcohol 357.46
    acetylacetone 570.18
    n-hexadecane 28.19
    acetophenone 283.78
    methyl propionate 505.28
    isopentyl acetate 208.14
    trichloroethylene 1486.49
    n-nonanol 141.3
    cyclohexanol 425.95
    benzyl alcohol 269.66
    2-ethylhexanol 150.59
    isooctanol 118.26
    dipropyl ether 175.18
    1,2-dichlorobenzene 362.42
    ethyl lactate 171.86
    propylene carbonate 583.3
    n-methylformamide 671.99
    2-pentanol 279.23
    n-pentane 56.87
    1-propoxy-2-propanol 262.55
    1-methoxy-2-propyl acetate 260.67
    2-(2-methoxypropoxy) propanol 224.94
    mesitylene 134.57
    ε-caprolactone 583.92
    p-cymene 89.82
    epichlorohydrin 1204.16
    1,1,1-trichloroethane 822.89
    2-aminoethanol 324.21
    morpholine-4-carbaldehyde 793.9
    sulfolane 1282.33
    2,2,4-trimethylpentane 37.42
    2-methyltetrahydrofuran 877.38
    n-hexyl acetate 293.71
    isooctane 32.69
    2-(2-butoxyethoxy)ethanol 298.89
    sec-butyl acetate 184.13
    tert-butyl acetate 308.77
    decalin 55.12
    glycerin 353.23
    diglyme 525.16
    acrylic acid 484.92
    isopropyl myristate 125.83
    n-butyric acid 484.92
    acetyl acetate 319.25
    di(2-ethylhexyl) phthalate 114.92
    ethyl propionate 267.32
    nitromethane 1073.18
    1,2-diethoxyethane 209.25
    benzonitrile 353.04
    trioctyl phosphate 92.76
    1-bromopropane 480.84
    gamma-valerolactone 1028.95
    n-decanol 111.37
    triethyl phosphate 111.24
    4-methyl-2-pentanol 154.39
    propionitrile 531.73
    vinylene carbonate 522.08
    1,1,2-trichlorotrifluoroethane 646.77
    DMS 284.21
    cumene 117.07
    2-octanol 122.35
    2-hexanone 319.45
    octyl acetate 155.66
    limonene 132.18
    1,2-dimethoxyethane 631.69
    ethyl orthosilicate 102.2
    tributyl phosphate 102.33
    diacetone alcohol 366.87
    N,N-dimethylaniline 224.54
    acrylonitrile 699.86
    aniline 337.01
    1,3-propanediol 411.94
    bromobenzene 453.77
    dibromomethane 902.71
    1,1,2,2-tetrachloroethane 1029.64
    2-methyl-cyclohexyl acetate 170.32
    tetrabutyl urea 143.65
    diisobutyl methanol 99.25
    2-phenylethanol 236.0
    styrene 201.6
    dioctyl adipate 163.05
    dimethyl sulfate 474.98
    ethyl butyrate 179.19
    methyl lactate 289.64
    butyl lactate 142.15
    diethyl carbonate 143.67
    propanediol butyl ether 240.27
    triethyl orthoformate 129.3
    p-tert-butyltoluene 91.28
    methyl 4-tert-butylbenzoate 251.97
    morpholine 950.61
    tert-butylamine 271.68
    n-dodecanol 89.58
    dimethoxymethane 680.35
    ethylene carbonate 427.9
    cyrene 279.13
    2-ethoxyethyl acetate 210.18
    2-ethylhexyl acetate 158.72
    1,2,4-trichlorobenzene 414.79
    4-methylpyridine 616.16
    dibutyl ether 161.18
    2,6-dimethyl-4-heptanol 99.25
    DEF 527.26
    dimethyl isosorbide 363.57
    tetrachloroethylene 642.0
    eugenol 245.56
    triacetin 237.18
    span 80 198.21
    1,4-butanediol 192.1
    1,1-dichloroethane 883.56
    2-methyl-1-pentanol 206.99
    methyl formate 576.01
    2-methyl-1-butanol 301.32
    n-decane 38.16
    butyronitrile 476.4
    3,7-dimethyl-1-octanol 147.61
    1-chlorooctane 136.68
    1-chlorotetradecane 61.58
    n-nonane 38.83
    undecane 30.24
    tert-butylcyclohexane 55.72
    cyclooctane 32.8
    cyclopentanol 546.87
    tetrahydropyran 808.66
    tert-amyl methyl ether 273.39
    2,5,8-trioxanonane 352.43
    1-hexene 196.19
    2-isopropoxyethanol 257.19
    2,2,2-trifluoroethanol 249.06
    methyl butyrate 354.03

    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