2-Vinylbenzofuran

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  • Identifiers

    CAS number
    7522-79-4

    Molecular formula
    C10H8O

    SMILES
    C=CC1=CC2=CC=CC=C2O1

    Safety labels

  • Odor profile

    Fragrance
    Sweet 67.06%
    Fruity 54.9%
    Spicy 54.13%
    Almond 47.66%
    Cherry 47.39%
    Nutty 43.43%
    Floral 43.41%
    Bitter 42.67%
    Phenolic 39.07%
    Cinnamon 37.82%

     

    Flavor
    Bitter 40.38%
    Nutty 30.7%
    Almond 25.4%
    Sweet 25.01%
    Green 24.4%
    Oily 24.26%
    Cocoa 24.04%
    Chocolate 23.8%
    Woody 23.64%
    Furfural 22.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.42 (neutral)

    Molecular weight
    144.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point

    • 79.43 ˚C est.

  • Synonyms

    • 2-Vinylbenzofuran
    • Benzofuran, 2-ethenyl-
    • Benzofuran, 2-vinyl-
    • 7522-79-4
    • DTXSID90343312
    • RefChem:267438
    • DTXCID10294392
    • HVFZVIHIJNLIED-UHFFFAOYSA-N
    • 2-ethenyl-1-benzofuran
    • 2-Vinyl-1-benzofuran #
    • SCHEMBL225144
    • SCHEMBL1778078
    • SCHEMBL2900756
    • AKOS006373913
    • 7522-79-4

  • Applications

    2-Vinylbenzofuran (CAS 7522-79-4) is primarily used as a reactive monomer and synthetic intermediate in organic chemistry, with applications in specialty polymers and plastics; in industry it is evaluated for use in coatings and inks as a functional monomer, in adhesives formulations to enable copolymerization and crosslinking, and as a building block for advanced materials in electronics and photonics; it is also employed as a synthetic intermediate for benzofuran-containing compounds in research and development, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 481.7
    methanol 368.2
    isopropanol 365.9
    water 1.11
    ethyl acetate 808.62
    n-propanol 406.27
    acetone 941.31
    n-butanol 397.1
    acetonitrile 658.98
    DMF 815.56
    toluene 431.39
    isobutanol 311.42
    1,4-dioxane 763.69
    methyl acetate 813.61
    THF 1079.63
    2-butanone 830.96
    n-pentanol 320.02
    sec-butanol 413.41
    n-hexane 195.19
    ethylene glycol 87.02
    NMP 409.19
    cyclohexane 205.39
    DMSO 773.31
    n-butyl acetate 677.56
    n-octanol 380.89
    chloroform 1502.72
    n-propyl acetate 570.75
    acetic acid 245.96
    dichloromethane 2130.72
    cyclohexanone 661.48
    propylene glycol 105.44
    isopropyl acetate 373.13
    DMAc 658.94
    2-ethoxyethanol 407.32
    isopentanol 308.28
    n-heptane 188.37
    ethyl formate 564.67
    1,2-dichloroethane 996.81
    n-hexanol 405.71
    2-methoxyethanol 486.19
    isobutyl acetate 329.61
    tetrachloromethane 265.03
    n-pentyl acetate 399.99
    transcutol 1228.73
    n-heptanol 230.75
    ethylbenzene 392.18
    MIBK 333.1
    2-propoxyethanol 488.85
    tert-butanol 351.24
    MTBE 440.81
    2-butoxyethanol 327.26
    propionic acid 292.68
    o-xylene 277.38
    formic acid 49.57
    diethyl ether 746.88
    m-xylene 275.64
    p-xylene 428.84
    chlorobenzene 418.83
    dimethyl carbonate 330.72
    n-octane 106.9
    formamide 168.47
    cyclopentanone 760.12
    2-pentanone 637.13
    anisole 591.18
    cyclopentyl methyl ether 473.64
    gamma-butyrolactone 762.41
    1-methoxy-2-propanol 398.36
    pyridine 777.89
    3-pentanone 555.03
    furfural 549.3
    n-dodecane 91.93
    diethylene glycol 285.36
    diisopropyl ether 207.72
    tert-amyl alcohol 359.18
    acetylacetone 555.18
    n-hexadecane 101.02
    acetophenone 445.15
    methyl propionate 624.0
    isopentyl acetate 465.53
    trichloroethylene 1396.84
    n-nonanol 322.74
    cyclohexanol 292.32
    benzyl alcohol 309.58
    2-ethylhexanol 301.59
    isooctanol 191.06
    dipropyl ether 591.82
    1,2-dichlorobenzene 374.32
    ethyl lactate 213.1
    propylene carbonate 478.83
    n-methylformamide 395.57
    2-pentanol 308.19
    n-pentane 161.87
    1-propoxy-2-propanol 408.55
    1-methoxy-2-propyl acetate 393.37
    2-(2-methoxypropoxy) propanol 386.07
    mesitylene 175.92
    ε-caprolactone 550.69
    p-cymene 221.7
    epichlorohydrin 934.46
    1,1,1-trichloroethane 709.55
    2-aminoethanol 164.77
    morpholine-4-carbaldehyde 544.12
    sulfolane 569.39
    2,2,4-trimethylpentane 61.92
    2-methyltetrahydrofuran 707.16
    n-hexyl acetate 635.03
    isooctane 49.11
    2-(2-butoxyethoxy)ethanol 501.24
    sec-butyl acetate 339.32
    tert-butyl acetate 305.74
    decalin 113.86
    glycerin 105.71
    diglyme 898.9
    acrylic acid 212.25
    isopropyl myristate 294.29
    n-butyric acid 405.41
    acetyl acetate 357.72
    di(2-ethylhexyl) phthalate 183.53
    ethyl propionate 560.34
    nitromethane 603.55
    1,2-diethoxyethane 756.53
    benzonitrile 400.16
    trioctyl phosphate 156.54
    1-bromopropane 772.06
    gamma-valerolactone 616.51
    n-decanol 256.91
    triethyl phosphate 178.73
    4-methyl-2-pentanol 167.73
    propionitrile 590.29
    vinylene carbonate 472.56
    1,1,2-trichlorotrifluoroethane 355.95
    DMS 450.03
    cumene 234.81
    2-octanol 225.17
    2-hexanone 525.19
    octyl acetate 347.81
    limonene 266.95
    1,2-dimethoxyethane 957.81
    ethyl orthosilicate 173.86
    tributyl phosphate 220.36
    diacetone alcohol 294.98
    N,N-dimethylaniline 378.47
    acrylonitrile 603.53
    aniline 305.66
    1,3-propanediol 231.45
    bromobenzene 512.13
    dibromomethane 1387.89
    1,1,2,2-tetrachloroethane 882.36
    2-methyl-cyclohexyl acetate 285.56
    tetrabutyl urea 291.7
    diisobutyl methanol 176.27
    2-phenylethanol 310.12
    styrene 463.92
    dioctyl adipate 350.21
    dimethyl sulfate 303.83
    ethyl butyrate 548.24
    methyl lactate 198.32
    butyl lactate 248.99
    diethyl carbonate 378.67
    propanediol butyl ether 291.93
    triethyl orthoformate 289.13
    p-tert-butyltoluene 190.2
    methyl 4-tert-butylbenzoate 317.81
    morpholine 678.59
    tert-butylamine 278.89
    n-dodecanol 216.12
    dimethoxymethane 742.91
    ethylene carbonate 408.85
    cyrene 236.54
    2-ethoxyethyl acetate 447.51
    2-ethylhexyl acetate 386.29
    1,2,4-trichlorobenzene 367.37
    4-methylpyridine 662.19
    dibutyl ether 682.69
    2,6-dimethyl-4-heptanol 176.27
    DEF 624.31
    dimethyl isosorbide 503.48
    tetrachloroethylene 627.73
    eugenol 328.7
    triacetin 437.58
    span 80 301.27
    1,4-butanediol 135.39
    1,1-dichloroethane 938.78
    2-methyl-1-pentanol 299.88
    methyl formate 392.74
    2-methyl-1-butanol 312.3
    n-decane 142.49
    butyronitrile 586.82
    3,7-dimethyl-1-octanol 314.12
    1-chlorooctane 367.45
    1-chlorotetradecane 162.72
    n-nonane 153.96
    undecane 110.45
    tert-butylcyclohexane 101.31
    cyclooctane 92.49
    cyclopentanol 333.02
    tetrahydropyran 756.5
    tert-amyl methyl ether 356.02
    2,5,8-trioxanonane 602.01
    1-hexene 488.31
    2-isopropoxyethanol 328.56
    2,2,2-trifluoroethanol 109.84
    methyl butyrate 709.07

    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