3-(5-Methyl-2-furyl)prop-2-enal

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  • Identifiers

    CAS number
    5555-90-8

    Molecular formula
    C8H8O2

    SMILES
    CC1=CC=C(O1)/C=C/C=O

  • Odor profile

    Spicy 86.69%
    Sweet 75.05%
    Cinnamon 66.0%
    Nutty 56.35%
    Woody 51.31%
    Almond 48.46%
    Herbal 46.39%
    Warm 44.27%
    Caramellic 42.94%
    Vanilla 42.73%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point est.
    78.08 ˚C

    Solubility expt.

    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3-(5-Methylfuran-2-yl)acrylaldehyde
    • 5555-90-8
    • 3-(5-Methyl-2-furyl)prop-2-enal
    • 2-Propenal, 3-(5-methyl-2-furanyl)-
    • (5-Methylfuryl)acrolein
    • 108576-22-3
    • 5-Methyl-2-furanacrolein
    • 2-Furanacrolein, 5-methyl-
    • FEMA no. 4175
    • (2E)-3-(5-Methyl-2-furanyl)-2-propenal
    • UNII-080D6QWD5V
    • 080D6QWD5V
    • 2-Propenal, 3-(5-methyl-2-furanyl)-, (2E)-
    • 1-(5-Methyl-2-furanyl)-1-propen-3-al
    • 3-(5-Methyl-2-furyl)prop-2-enal [FHFI]
    • 3-(5-METHYLFURAN-2-YL)PROP-2-ENAL
    • 2-Propenal, 3-(5-methyl-2-furanyl)-, (E)-
    • (E)-3-(5-methylfuran-2-yl)prop-2-enal
    • DTXSID101015370
    • DTXCID1071086
    • CHEBI:178981
    • trans-3-(5-methyl-2-furyl)acrolein
    • AKOS016010709
    • DS-5715
    • (E)-3-(5-methyl-2-furyl)-2-propenal
    • (E)-3-(5-Methylfuran-2-yl)acrylaldehyde
    • (E)-3-(5-methyluran-2-yl)prop-2-enal
    • 1-(5-methy1-2-furanyl)-1-propen-3-al
    • CS-0186711
    • D70700
    • EN300-1246668
    • (E)-2-methyl-3-(5-methyl-2-furyl)prop-2-enal
    • Q27236338

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 216.32
    methanol 292.73
    isopropanol 144.11
    water 4.78
    ethyl acetate 200.31
    n-propanol 144.34
    acetone 475.42
    n-butanol 130.29
    acetonitrile 361.82
    DMF 640.98
    toluene 112.72
    isobutanol 116.35
    1,4-dioxane 384.46
    methyl acetate 353.88
    THF 451.56
    2-butanone 351.58
    n-pentanol 110.78
    sec-butanol 140.29
    n-hexane 20.87
    ethylene glycol 115.76
    NMP 714.95
    cyclohexane 21.37
    DMSO 1174.31
    n-butyl acetate 131.39
    n-octanol 68.23
    chloroform 442.34
    n-propyl acetate 142.12
    acetic acid 217.36
    dichloromethane 601.02
    cyclohexanone 307.62
    propylene glycol 107.56
    isopropyl acetate 106.12
    DMAc 829.43
    2-ethoxyethanol 240.95
    isopentanol 124.45
    n-heptane 12.99
    ethyl formate 152.08
    1,2-dichloroethane 327.94
    n-hexanol 91.24
    2-methoxyethanol 352.85
    isobutyl acetate 86.76
    tetrachloromethane 72.52
    n-pentyl acetate 78.75
    transcutol 953.32
    n-heptanol 43.18
    ethylbenzene 86.1
    MIBK 120.01
    2-propoxyethanol 185.41
    tert-butanol 181.28
    MTBE 183.15
    2-butoxyethanol 98.74
    propionic acid 182.73
    o-xylene 98.11
    formic acid 132.54
    diethyl ether 163.3
    m-xylene 80.92
    p-xylene 109.68
    chlorobenzene 179.69
    dimethyl carbonate 144.79
    n-octane 5.65
    formamide 282.93
    cyclopentanone 434.69
    2-pentanone 197.25
    anisole 247.17
    cyclopentyl methyl ether 190.61
    gamma-butyrolactone 469.36
    1-methoxy-2-propanol 239.92
    pyridine 331.45
    3-pentanone 185.6
    furfural 482.63
    n-dodecane 6.58
    diethylene glycol 202.66
    diisopropyl ether 50.98
    tert-amyl alcohol 188.38
    acetylacetone 277.99
    n-hexadecane 7.45
    acetophenone 218.12
    methyl propionate 201.67
    isopentyl acetate 119.65
    trichloroethylene 602.54
    n-nonanol 57.89
    cyclohexanol 120.76
    benzyl alcohol 154.4
    2-ethylhexanol 67.77
    isooctanol 40.36
    dipropyl ether 76.9
    1,2-dichlorobenzene 181.91
    ethyl lactate 92.25
    propylene carbonate 234.96
    n-methylformamide 308.21
    2-pentanol 89.13
    n-pentane 15.41
    1-propoxy-2-propanol 131.66
    1-methoxy-2-propyl acetate 154.8
    2-(2-methoxypropoxy) propanol 188.26
    mesitylene 51.12
    ε-caprolactone 263.42
    p-cymene 49.61
    epichlorohydrin 535.22
    1,1,1-trichloroethane 271.65
    2-aminoethanol 149.25
    morpholine-4-carbaldehyde 543.69
    sulfolane 694.88
    2,2,4-trimethylpentane 15.84
    2-methyltetrahydrofuran 348.11
    n-hexyl acetate 142.63
    isooctane 9.05
    2-(2-butoxyethoxy)ethanol 223.12
    sec-butyl acetate 96.32
    tert-butyl acetate 128.42
    decalin 24.61
    glycerin 160.75
    diglyme 436.57
    acrylic acid 204.02
    isopropyl myristate 60.32
    n-butyric acid 147.67
    acetyl acetate 148.18
    di(2-ethylhexyl) phthalate 71.03
    ethyl propionate 134.96
    nitromethane 580.46
    1,2-diethoxyethane 199.28
    benzonitrile 203.06
    trioctyl phosphate 43.75
    1-bromopropane 165.97
    gamma-valerolactone 443.04
    n-decanol 44.3
    triethyl phosphate 80.0
    4-methyl-2-pentanol 58.04
    propionitrile 195.36
    vinylene carbonate 223.31
    1,1,2-trichlorotrifluoroethane 316.51
    DMS 203.35
    cumene 62.14
    2-octanol 36.97
    2-hexanone 166.17
    octyl acetate 73.96
    limonene 67.68
    1,2-dimethoxyethane 425.95
    ethyl orthosilicate 71.39
    tributyl phosphate 66.25
    diacetone alcohol 167.25
    N,N-dimethylaniline 170.94
    acrylonitrile 284.17
    aniline 168.2
    1,3-propanediol 161.04
    bromobenzene 186.17
    dibromomethane 335.62
    1,1,2,2-tetrachloroethane 407.28
    2-methyl-cyclohexyl acetate 109.3
    tetrabutyl urea 92.41
    diisobutyl methanol 42.79
    2-phenylethanol 116.04
    styrene 114.9
    dioctyl adipate 100.42
    dimethyl sulfate 300.44
    ethyl butyrate 109.97
    methyl lactate 131.54
    butyl lactate 79.56
    diethyl carbonate 101.35
    propanediol butyl ether 146.08
    triethyl orthoformate 84.3
    p-tert-butyltoluene 47.16
    methyl 4-tert-butylbenzoate 144.28
    morpholine 383.52
    tert-butylamine 117.5
    n-dodecanol 35.23
    dimethoxymethane 275.64
    ethylene carbonate 165.28
    cyrene 189.97
    2-ethoxyethyl acetate 148.52
    2-ethylhexyl acetate 101.5
    1,2,4-trichlorobenzene 236.84
    4-methylpyridine 313.38
    dibutyl ether 85.8
    2,6-dimethyl-4-heptanol 42.79
    DEF 279.07
    dimethyl isosorbide 286.74
    tetrachloroethylene 247.03
    eugenol 142.8
    triacetin 202.0
    span 80 126.69
    1,4-butanediol 93.57
    1,1-dichloroethane 296.55
    2-methyl-1-pentanol 121.31
    methyl formate 249.6
    2-methyl-1-butanol 132.34
    n-decane 9.96
    butyronitrile 151.97
    3,7-dimethyl-1-octanol 78.04
    1-chlorooctane 46.83
    1-chlorotetradecane 22.17
    n-nonane 9.36
    undecane 7.9
    tert-butylcyclohexane 22.72
    cyclooctane 9.12
    cyclopentanol 142.11
    tetrahydropyran 243.87
    tert-amyl methyl ether 152.57
    2,5,8-trioxanonane 317.48
    1-hexene 67.76
    2-isopropoxyethanol 162.65
    2,2,2-trifluoroethanol 114.07
    methyl butyrate 181.62

    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