Acrylophenone, 3-(2-furyl)-

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  • Identifiers

    CAS number
    717-21-5

    Molecular formula
    C13H10O2

    SMILES
    C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CO2

    Safety labels

  • Odor profile

    Fragrance
    Spicy 71.86%
    Balsamic 67.83%
    Cinnamon 50.95%
    Sweet 49.5%
    Warm 43.13%
    Herbal 39.68%
    Vanilla 39.28%
    Woody 35.25%
    Floral 34.71%
    Caramellic 34.12%

     

    Flavor
    Bitter 41.23%
    Balsam 35.91%
    Nutty 29.16%
    Honey 28.08%
    Chocolate 24.86%
    Odorless 22.8%
    Faint 22.77%
    Urine 22.77%
    Cinnamon 22.75%
    Balsamic 22.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    5.78 (weak acid)

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    348°C

    Flash point

    • 142.0 ˚C est.

  • Synonyms

    • 717-21-5
    • 3-(2-Furyl)acrylophenone
    • Furfurylideneacetophenone
    • ACRYLOPHENONE, 3-(2-FURYL)-
    • 2-Propen-1-one, 3-(2-furanyl)-1-phenyl-
    • 3-(2-Furanyl)-1-phenyl-2-propen-1-one
    • NSC 2049
    • EINECS 211-940-8
    • BRN 0134154
    • AI3-04601
    • 5-17-10-00371 (Beilstein Handbook Reference)
    • 3(2Furyl)acrylophenone
    • RefChem:552873
    • 3(2Furanyl)1phenyl2propen1one
    • 2Propen1one, 3(2furanyl)1phenyl
    • 2Propen1one, 3(2furanyl)1phenyl (9CI)
    • 2-Propen-1-one, 3-(2-furanyl)-1-phenyl-(9CI)
    • 211-940-8
    • (2E)-3-(2-furyl)-1-phenylprop-2-en-1-one
    • MFCD00136235
    • 3-(furan-2-yl)-1-phenylprop-2-en-1-one
    • (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
    • (2E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
    • 2-Propen-1-one, 3-(2-furanyl)-1-phenyl-, (2E)-
    • NSC2049
    • SCHEMBL8290646
    • CHEMBL2236635
    • DTXSID301032005
    • ALBB-010510
    • NSC-2049
    • GEO-03836
    • SBB001550
    • STK523262
    • AKOS003632748
    • NCGC00338677-01
    • 3-(2-furyl)-1-phenyl-2-propen-1-one
    • LS-03558
    • 3-(Fur-2-yl)-1-phenylprop-2-en-1-one
    • ST4045643
    • 3-(2-Furyl)-1-phenyl-2-propen-1-one #
    • NS00042065
    • (E)-3-(2-furyl)-1-phenyl-prop-2-en-1-one
    • (2E)-3-(2-Furyl)-1-phenyl-2-propen-1-one
    • AB01330786-02
    • SR-01000391649
    • SR-01000391649-1
    • (E)-3-(2-FURYL)-1-PHENYL-2-PROPEN-1-ONE
    • 717-21-5

  • Applications

    Acrylophenone, 3-(2-furyl)- is an α,β-unsaturated aryl ketone bearing a furyl substituent, commonly used as an intermediate in organic synthesis; it serves as a building block for specialty polymers and resins, and can participate in polymerization as a monomer or as a crosslinking precursor for coatings, primers, and inks; it is also evaluated as a precursor for dyes and pigments in coatings and inks; due to the furyl moiety it may be explored in fragrance chemistry; and it may be considered as a synthetic intermediate in pharmaceutical research, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.02
    methanol 50.54
    isopropanol 14.71
    water 0.09
    ethyl acetate 107.03
    n-propanol 25.3
    acetone 46.49
    n-butanol 20.4
    acetonitrile 100.21
    DMF 73.21
    toluene 65.51
    isobutanol 14.99
    1,4-dioxane 160.88
    methyl acetate 116.64
    THF 159.56
    2-butanone 94.48
    n-pentanol 22.47
    sec-butanol 21.92
    n-hexane 1.29
    ethylene glycol 20.24
    NMP 58.31
    cyclohexane 2.37
    DMSO 148.03
    n-butyl acetate 60.51
    n-octanol 11.62
    chloroform 256.43
    n-propyl acetate 63.98
    acetic acid 61.01
    dichloromethane 327.42
    cyclohexanone 75.47
    propylene glycol 22.45
    isopropyl acetate 64.29
    DMAc 210.96
    2-ethoxyethanol 80.47
    isopentanol 26.85
    n-heptane 2.25
    ethyl formate 42.24
    1,2-dichloroethane 207.0
    n-hexanol 20.96
    2-methoxyethanol 110.9
    isobutyl acetate 47.71
    tetrachloromethane 10.75
    n-pentyl acetate 29.47
    transcutol 702.91
    n-heptanol 11.23
    ethylbenzene 40.53
    MIBK 53.65
    2-propoxyethanol 67.88
    tert-butanol 27.18
    MTBE 52.73
    2-butoxyethanol 39.07
    propionic acid 43.61
    o-xylene 38.38
    formic acid 28.09
    diethyl ether 64.24
    m-xylene 31.25
    p-xylene 38.98
    chlorobenzene 70.24
    dimethyl carbonate 69.45
    n-octane 1.08
    formamide 78.82
    cyclopentanone 85.52
    2-pentanone 56.01
    anisole 141.48
    cyclopentyl methyl ether 49.89
    gamma-butyrolactone 132.35
    1-methoxy-2-propanol 73.68
    pyridine 206.98
    3-pentanone 66.25
    furfural 161.35
    n-dodecane 1.63
    diethylene glycol 70.47
    diisopropyl ether 20.1
    tert-amyl alcohol 35.11
    acetylacetone 136.33
    n-hexadecane 1.98
    acetophenone 115.33
    methyl propionate 88.31
    isopentyl acetate 69.29
    trichloroethylene 435.38
    n-nonanol 13.49
    cyclohexanol 20.47
    benzyl alcohol 64.83
    2-ethylhexanol 20.83
    isooctanol 12.59
    dipropyl ether 35.49
    1,2-dichlorobenzene 83.05
    ethyl lactate 35.67
    propylene carbonate 77.4
    n-methylformamide 46.24
    2-pentanol 16.21
    n-pentane 0.88
    1-propoxy-2-propanol 48.42
    1-methoxy-2-propyl acetate 100.65
    2-(2-methoxypropoxy) propanol 102.73
    mesitylene 20.68
    ε-caprolactone 82.83
    p-cymene 23.03
    epichlorohydrin 262.76
    1,1,1-trichloroethane 100.13
    2-aminoethanol 32.81
    morpholine-4-carbaldehyde 152.86
    sulfolane 136.99
    2,2,4-trimethylpentane 3.01
    2-methyltetrahydrofuran 81.42
    n-hexyl acetate 46.22
    isooctane 1.89
    2-(2-butoxyethoxy)ethanol 116.08
    sec-butyl acetate 58.45
    tert-butyl acetate 82.06
    decalin 6.0
    glycerin 43.84
    diglyme 269.12
    acrylic acid 52.57
    isopropyl myristate 26.47
    n-butyric acid 46.64
    acetyl acetate 97.58
    di(2-ethylhexyl) phthalate 30.19
    ethyl propionate 70.69
    nitromethane 173.24
    1,2-diethoxyethane 145.32
    benzonitrile 80.53
    trioctyl phosphate 14.58
    1-bromopropane 54.77
    gamma-valerolactone 135.66
    n-decanol 10.96
    triethyl phosphate 43.13
    4-methyl-2-pentanol 16.66
    propionitrile 67.27
    vinylene carbonate 84.93
    1,1,2-trichlorotrifluoroethane 140.7
    DMS 97.86
    cumene 27.78
    2-octanol 7.72
    2-hexanone 56.23
    octyl acetate 27.65
    limonene 27.15
    1,2-dimethoxyethane 162.03
    ethyl orthosilicate 39.92
    tributyl phosphate 23.34
    diacetone alcohol 84.23
    N,N-dimethylaniline 78.31
    acrylonitrile 116.33
    aniline 62.21
    1,3-propanediol 38.44
    bromobenzene 82.76
    dibromomethane 143.34
    1,1,2,2-tetrachloroethane 257.11
    2-methyl-cyclohexyl acetate 59.51
    tetrabutyl urea 33.62
    diisobutyl methanol 19.09
    2-phenylethanol 53.44
    styrene 59.61
    dioctyl adipate 51.18
    dimethyl sulfate 108.57
    ethyl butyrate 64.8
    methyl lactate 47.42
    butyl lactate 29.13
    diethyl carbonate 58.66
    propanediol butyl ether 43.44
    triethyl orthoformate 53.46
    p-tert-butyltoluene 21.78
    methyl 4-tert-butylbenzoate 77.1
    morpholine 141.04
    tert-butylamine 15.51
    n-dodecanol 9.39
    dimethoxymethane 116.96
    ethylene carbonate 60.05
    cyrene 73.78
    2-ethoxyethyl acetate 78.59
    2-ethylhexyl acetate 53.21
    1,2,4-trichlorobenzene 106.97
    4-methylpyridine 108.29
    dibutyl ether 34.22
    2,6-dimethyl-4-heptanol 19.09
    DEF 86.74
    dimethyl isosorbide 165.75
    tetrachloroethylene 132.52
    eugenol 76.57
    triacetin 99.03
    span 80 53.68
    1,4-butanediol 16.98
    1,1-dichloroethane 95.46
    2-methyl-1-pentanol 32.42
    methyl formate 44.11
    2-methyl-1-butanol 24.65
    n-decane 2.17
    butyronitrile 41.67
    3,7-dimethyl-1-octanol 22.21
    1-chlorooctane 12.08
    1-chlorotetradecane 6.93
    n-nonane 1.68
    undecane 1.87
    tert-butylcyclohexane 5.62
    cyclooctane 1.15
    cyclopentanol 17.94
    tetrahydropyran 73.45
    tert-amyl methyl ether 53.76
    2,5,8-trioxanonane 204.6
    1-hexene 10.33
    2-isopropoxyethanol 55.96
    2,2,2-trifluoroethanol 27.23
    methyl butyrate 72.24

    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