(Z)-3-(furan-2-yl)-2-methylprop-2-enal

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  • Identifiers

    CAS number
    874-66-8

    Molecular formula
    C8H8O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Spicy 86.86%
    Cinnamon 63.23%
    Woody 62.17%
    Herbal 60.78%
    Warm 50.23%
    Nutty 50.03%
    Sweet 45.92%
    Almond 35.73%
    Caramellic 34.27%
    Vanilla 34.11%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    223°C

    Flash point est.
    76.26 ˚C

    Solubility expt.

    • Insoluble in water; Soluble in oils
    • Solube (in ethanol)

  • Synonyms

    • 874-66-8
    • .ALPHA.-METHYL-2-FURANACROLEIN
    • 2-FURANACROLEIN, .ALPHA.-METHYL-
    • METHYL-3-(2-FURYL)ACROLEIN, 2-
    • 3-(2-FURYL)-2-METHYLPROP-2-ENAL
    • 2-METHYL-3(2-FURYL)ACROLEIN [FHFI]
    • 2-METHYL-3-(.ALPHA.-FURYL)PROPENAL-2
    • 3-(2-(FURANYL)-2-METHYL-2-PROPENAL
    • .ALPHA.-METHYL-.BETA.-(2-FURYL)ACROLEIN
    • alpha -Methylfurylacrolein
    • SCHEMBL1532601
    • AKOS000268597
    • NS00022856
    • Q27263911

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 577.55
    methanol 739.08
    isopropanol 440.37
    water 11.73
    ethyl acetate 429.61
    n-propanol 423.21
    acetone 882.4
    n-butanol 365.14
    acetonitrile 754.33
    DMF 1067.12
    toluene 187.89
    isobutanol 347.36
    1,4-dioxane 613.13
    methyl acetate 620.96
    THF 699.14
    2-butanone 695.88
    n-pentanol 265.41
    sec-butanol 409.21
    n-hexane 31.62
    ethylene glycol 252.95
    NMP 837.57
    cyclohexane 36.44
    DMSO 934.89
    n-butyl acetate 220.37
    n-octanol 179.52
    chloroform 1080.31
    n-propyl acetate 282.85
    acetic acid 538.87
    dichloromethane 1156.47
    cyclohexanone 586.39
    propylene glycol 263.25
    isopropyl acetate 236.23
    DMAc 999.38
    2-ethoxyethanol 476.52
    isopentanol 320.19
    n-heptane 29.11
    ethyl formate 322.11
    1,2-dichloroethane 620.34
    n-hexanol 228.6
    2-methoxyethanol 657.52
    isobutyl acetate 197.47
    tetrachloromethane 141.94
    n-pentyl acetate 158.29
    transcutol 1002.28
    n-heptanol 131.34
    ethylbenzene 149.27
    MIBK 275.62
    2-propoxyethanol 433.97
    tert-butanol 524.44
    MTBE 406.09
    2-butoxyethanol 239.61
    propionic acid 431.16
    o-xylene 172.62
    formic acid 233.72
    diethyl ether 338.3
    m-xylene 159.78
    p-xylene 199.95
    chlorobenzene 294.8
    dimethyl carbonate 251.96
    n-octane 19.08
    formamide 381.59
    cyclopentanone 723.96
    2-pentanone 449.97
    anisole 406.11
    cyclopentyl methyl ether 348.13
    gamma-butyrolactone 704.34
    1-methoxy-2-propanol 528.88
    pyridine 492.34
    3-pentanone 352.2
    furfural 635.33
    n-dodecane 23.62
    diethylene glycol 425.95
    diisopropyl ether 113.28
    tert-amyl alcohol 472.26
    acetylacetone 482.63
    n-hexadecane 25.57
    acetophenone 353.25
    methyl propionate 395.81
    isopentyl acetate 212.41
    trichloroethylene 1109.36
    n-nonanol 149.1
    cyclohexanol 286.04
    benzyl alcohol 282.22
    2-ethylhexanol 150.79
    isooctanol 117.4
    dipropyl ether 157.24
    1,2-dichlorobenzene 283.05
    ethyl lactate 180.09
    propylene carbonate 384.77
    n-methylformamide 495.16
    2-pentanol 271.44
    n-pentane 30.1
    1-propoxy-2-propanol 275.3
    1-methoxy-2-propyl acetate 245.53
    2-(2-methoxypropoxy) propanol 297.2
    mesitylene 109.97
    ε-caprolactone 422.81
    p-cymene 94.65
    epichlorohydrin 787.81
    1,1,1-trichloroethane 556.15
    2-aminoethanol 355.09
    morpholine-4-carbaldehyde 731.97
    sulfolane 806.3
    2,2,4-trimethylpentane 36.79
    2-methyltetrahydrofuran 549.53
    n-hexyl acetate 273.97
    isooctane 26.7
    2-(2-butoxyethoxy)ethanol 352.09
    sec-butyl acetate 202.25
    tert-butyl acetate 269.63
    decalin 41.95
    glycerin 343.93
    diglyme 603.22
    acrylic acid 419.28
    isopropyl myristate 124.74
    n-butyric acid 414.41
    acetyl acetate 275.38
    di(2-ethylhexyl) phthalate 118.18
    ethyl propionate 253.36
    nitromethane 909.89
    1,2-diethoxyethane 282.95
    benzonitrile 318.5
    trioctyl phosphate 87.96
    1-bromopropane 337.8
    gamma-valerolactone 683.21
    n-decanol 117.69
    triethyl phosphate 117.98
    4-methyl-2-pentanol 165.58
    propionitrile 451.01
    vinylene carbonate 367.75
    1,1,2-trichlorotrifluoroethane 544.22
    DMS 285.43
    cumene 116.91
    2-octanol 109.79
    2-hexanone 328.76
    octyl acetate 150.9
    limonene 131.1
    1,2-dimethoxyethane 639.71
    ethyl orthosilicate 111.55
    tributyl phosphate 107.01
    diacetone alcohol 343.17
    N,N-dimethylaniline 272.99
    acrylonitrile 598.28
    aniline 278.09
    1,3-propanediol 388.39
    bromobenzene 307.29
    dibromomethane 647.31
    1,1,2,2-tetrachloroethane 745.25
    2-methyl-cyclohexyl acetate 177.24
    tetrabutyl urea 147.25
    diisobutyl methanol 105.62
    2-phenylethanol 222.4
    styrene 191.52
    dioctyl adipate 170.71
    dimethyl sulfate 387.98
    ethyl butyrate 195.66
    methyl lactate 255.5
    butyl lactate 147.95
    diethyl carbonate 156.01
    propanediol butyl ether 277.94
    triethyl orthoformate 136.97
    p-tert-butyltoluene 91.84
    methyl 4-tert-butylbenzoate 259.8
    morpholine 619.16
    tert-butylamine 316.05
    n-dodecanol 95.46
    dimethoxymethane 506.14
    ethylene carbonate 274.02
    cyrene 294.26
    2-ethoxyethyl acetate 227.5
    2-ethylhexyl acetate 163.04
    1,2,4-trichlorobenzene 351.69
    4-methylpyridine 485.22
    dibutyl ether 171.73
    2,6-dimethyl-4-heptanol 105.62
    DEF 524.44
    dimethyl isosorbide 387.82
    tetrachloroethylene 458.4
    eugenol 266.97
    triacetin 301.68
    span 80 219.55
    1,4-butanediol 218.85
    1,1-dichloroethane 687.01
    2-methyl-1-pentanol 254.55
    methyl formate 442.87
    2-methyl-1-butanol 334.33
    n-decane 33.29
    butyronitrile 376.12
    3,7-dimethyl-1-octanol 169.45
    1-chlorooctane 118.25
    1-chlorotetradecane 58.63
    n-nonane 31.84
    undecane 27.36
    tert-butylcyclohexane 48.2
    cyclooctane 16.4
    cyclopentanol 331.33
    tetrahydropyran 449.33
    tert-amyl methyl ether 306.8
    2,5,8-trioxanonane 437.82
    1-hexene 135.2
    2-isopropoxyethanol 348.0
    2,2,2-trifluoroethanol 247.66
    methyl butyrate 346.3

    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