2-Acetylbenzofuran

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  • Identifiers

    CAS number
    1646-26-0

    Molecular formula
    C10H8O2

    SMILES
    CC(=O)C1=CC2=CC=CC=C2O1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 80.69%
    Floral 79.52%
    Coumarinic 58.69%
    Powdery 57.21%
    Honey 48.64%
    Hay 46.5%
    Vanilla 45.54%
    Balsamic 44.84%
    Cherry 44.14%
    Hawthorn 43.0%

     

    Flavor
    Sweet 70.12%
    Almond 43.98%
    Tobacco 43.46%
    Bitter 41.47%
    Nutty 40.28%
    Hawthorn 39.57%
    Balsam 38.37%
    Coumarin 36.02%
    Caramel 35.3%
    Balsamic 33.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.18 (neutral)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 110.59 ˚C est.

  • Synonyms

    • 2-Acetylbenzofuran
    • 1646-26-0
    • 1-(benzofuran-2-yl)ethanone
    • Ethanone, 1-(2-benzofuranyl)-
    • 2-Acetylcoumarone
    • 2-Benzofuranyl methyl ketone
    • 2-Acetylcumarone
    • Benzofuran-2-yl methyl ketone
    • 1-(2-Benzofuranyl)ethanone
    • acetylbenzofuran
    • 2-acetylbenzo[b]furan
    • 1-(1-Benzofuran-2-yl)ethanone
    • Benzo(b)furan-2-yl methyl ketone
    • KETONE, 2-BENZOFURANYL METHYL
    • MFCD00005849
    • NSC 23974
    • NSC 28904
    • UNII-A1FJQ7D0K3
    • EINECS 216-706-9
    • 1-(1-benzofuran-2-yl)ethan-1-one
    • A1FJQ7D0K3
    • 2-acetyl benzofuran
    • BRN 0117910
    • NSC-23974
    • NSC-28904
    • 2-ACETYLBENZO(B)FURAN
    • COUMARONE 600303
    • DTXSID3061845
    • 2-BENZOFURYL METHYL KETONE
    • 5-17-10-00172 (Beilstein Handbook Reference)
    • 1-(2-BENZOFURYL)-1-ETHANONE
    • 2-AcetYl-Benzofuran
    • benzofuranyl
    • Ethanone, 1-(benzofuranyl)-
    • 2-acetyl benzo[b]furan
    • 2-benzofuranylmethylketone
    • Maybridge1_007536
    • Cambridge id 5102129
    • 1-Benzofuran-2-yl-ethanone
    • (benzofuran-2-yl)methylketone
    • SCHEMBL241548
    • ACETYLBENZOFURAN [INCI]
    • CHEMBL561390
    • DTXCID1035288
    • HMS562O12
    • 1-(1-Benzofuran-2-yl)ethanone #
    • NSC23974
    • NSC28904
    • 2-Benzofuranyl methyl ketone, 99%
    • CCG-48749
    • STK873689
    • AKOS000120290
    • FA33089
    • s10131
    • NCGC00330251-01
    • AS-12505
    • SY045444
    • DB-043596
    • CS-0059232
    • EU-0034630
    • NS00019784
    • EN300-17877
    • AB01220861-03
    • AB-337/25021054
    • SR-01000398737
    • SR-01000398737-1
    • SR-01000398737-2
    • Q27273504
    • Z57054215
    • F0919-0152
    • 2-Benzofuranyl methyl ketone;1-(Benzofuran-2-yl)ethanone;2-Acetylcoumarone;2-Acetylcumarone

  • Applications

    2-Acetylbenzofuran (CAS 1646-26-0) is primarily used as a fragrance intermediate and odorant, contributing warm, woody notes in perfumery. It is commonly evaluated as a building block in the synthesis of benzofuran-based fragrance ingredients and may be found in cosmetics and personal care formulations for scent. In household products, it can serve as a fragrance component in cleaners and air fresheners. In industrial manufacturing, it functions as an intermediate for the preparation of more complex benzofuran derivatives used in specialty chemicals. It may also be employed as a precursor in polymer-related chemistry for the synthesis of specialty monomers or functional additives used in coatings and inks. In pharmaceutical development, it may appear as a synthetic intermediate in the preparation of active compounds. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 260.6
    methanol 350.89
    isopropanol 181.69
    water 4.41
    ethyl acetate 408.26
    n-propanol 194.05
    acetone 692.73
    n-butanol 167.87
    acetonitrile 444.14
    DMF 926.16
    toluene 183.84
    isobutanol 153.31
    1,4-dioxane 364.81
    methyl acetate 527.41
    THF 436.86
    2-butanone 522.07
    n-pentanol 138.51
    sec-butanol 194.16
    n-hexane 20.18
    ethylene glycol 85.24
    NMP 375.95
    cyclohexane 31.52
    DMSO 561.92
    n-butyl acetate 207.11
    n-octanol 128.81
    chloroform 600.82
    n-propyl acetate 248.28
    acetic acid 174.24
    dichloromethane 899.07
    cyclohexanone 358.32
    propylene glycol 68.29
    isopropyl acetate 176.98
    DMAc 744.57
    2-ethoxyethanol 260.81
    isopentanol 139.07
    n-heptane 24.33
    ethyl formate 410.41
    1,2-dichloroethane 431.81
    n-hexanol 125.04
    2-methoxyethanol 384.23
    isobutyl acetate 122.61
    tetrachloromethane 72.31
    n-pentyl acetate 144.35
    transcutol 489.13
    n-heptanol 86.84
    ethylbenzene 154.28
    MIBK 159.24
    2-propoxyethanol 212.24
    tert-butanol 195.61
    MTBE 182.03
    2-butoxyethanol 159.11
    propionic acid 192.87
    o-xylene 146.4
    formic acid 79.21
    diethyl ether 236.92
    m-xylene 121.31
    p-xylene 201.87
    chlorobenzene 195.55
    dimethyl carbonate 223.8
    n-octane 19.34
    formamide 283.49
    cyclopentanone 444.34
    2-pentanone 344.16
    anisole 284.11
    cyclopentyl methyl ether 173.45
    gamma-butyrolactone 473.16
    1-methoxy-2-propanol 239.35
    pyridine 413.1
    3-pentanone 314.45
    furfural 427.83
    n-dodecane 21.74
    diethylene glycol 191.21
    diisopropyl ether 58.1
    tert-amyl alcohol 183.64
    acetylacetone 346.65
    n-hexadecane 23.77
    acetophenone 258.08
    methyl propionate 377.76
    isopentyl acetate 155.41
    trichloroethylene 683.7
    n-nonanol 111.97
    cyclohexanol 131.14
    benzyl alcohol 196.13
    2-ethylhexanol 94.35
    isooctanol 74.12
    dipropyl ether 126.55
    1,2-dichlorobenzene 177.94
    ethyl lactate 119.71
    propylene carbonate 278.59
    n-methylformamide 459.29
    2-pentanol 114.57
    n-pentane 19.94
    1-propoxy-2-propanol 147.41
    1-methoxy-2-propyl acetate 173.75
    2-(2-methoxypropoxy) propanol 179.23
    mesitylene 67.77
    ε-caprolactone 289.77
    p-cymene 82.5
    epichlorohydrin 494.35
    1,1,1-trichloroethane 269.33
    2-aminoethanol 117.3
    morpholine-4-carbaldehyde 438.41
    sulfolane 365.37
    2,2,4-trimethylpentane 13.32
    2-methyltetrahydrofuran 279.98
    n-hexyl acetate 221.45
    isooctane 8.72
    2-(2-butoxyethoxy)ethanol 219.49
    sec-butyl acetate 142.57
    tert-butyl acetate 138.24
    decalin 23.94
    glycerin 86.85
    diglyme 433.85
    acrylic acid 164.09
    isopropyl myristate 95.24
    n-butyric acid 199.28
    acetyl acetate 189.05
    di(2-ethylhexyl) phthalate 83.82
    ethyl propionate 258.89
    nitromethane 569.21
    1,2-diethoxyethane 245.67
    benzonitrile 240.94
    trioctyl phosphate 63.17
    1-bromopropane 248.15
    gamma-valerolactone 430.7
    n-decanol 92.04
    triethyl phosphate 81.39
    4-methyl-2-pentanol 66.89
    propionitrile 313.04
    vinylene carbonate 315.97
    1,1,2-trichlorotrifluoroethane 227.96
    DMS 209.44
    cumene 96.54
    2-octanol 80.1
    2-hexanone 237.62
    octyl acetate 127.63
    limonene 93.39
    1,2-dimethoxyethane 581.43
    ethyl orthosilicate 73.57
    tributyl phosphate 83.68
    diacetone alcohol 162.33
    N,N-dimethylaniline 191.2
    acrylonitrile 423.68
    aniline 162.52
    1,3-propanediol 162.8
    bromobenzene 200.26
    dibromomethane 489.85
    1,1,2,2-tetrachloroethane 398.91
    2-methyl-cyclohexyl acetate 113.12
    tetrabutyl urea 123.06
    diisobutyl methanol 59.36
    2-phenylethanol 146.38
    styrene 183.21
    dioctyl adipate 128.35
    dimethyl sulfate 229.42
    ethyl butyrate 185.44
    methyl lactate 135.8
    butyl lactate 105.02
    diethyl carbonate 146.59
    propanediol butyl ether 141.62
    triethyl orthoformate 101.54
    p-tert-butyltoluene 68.59
    methyl 4-tert-butylbenzoate 157.24
    morpholine 323.51
    tert-butylamine 122.08
    n-dodecanol 77.02
    dimethoxymethane 516.44
    ethylene carbonate 258.4
    cyrene 146.93
    2-ethoxyethyl acetate 195.2
    2-ethylhexyl acetate 121.85
    1,2,4-trichlorobenzene 177.48
    4-methylpyridine 384.83
    dibutyl ether 166.4
    2,6-dimethyl-4-heptanol 59.36
    DEF 407.81
    dimethyl isosorbide 226.47
    tetrachloroethylene 288.58
    eugenol 176.34
    triacetin 195.43
    span 80 118.57
    1,4-butanediol 91.27
    1,1-dichloroethane 387.05
    2-methyl-1-pentanol 134.94
    methyl formate 473.92
    2-methyl-1-butanol 144.21
    n-decane 31.14
    butyronitrile 276.12
    3,7-dimethyl-1-octanol 106.75
    1-chlorooctane 94.55
    1-chlorotetradecane 46.77
    n-nonane 29.6
    undecane 25.56
    tert-butylcyclohexane 21.25
    cyclooctane 12.79
    cyclopentanol 150.62
    tetrahydropyran 251.61
    tert-amyl methyl ether 153.62
    2,5,8-trioxanonane 295.45
    1-hexene 94.58
    2-isopropoxyethanol 188.91
    2,2,2-trifluoroethanol 101.3
    methyl butyrate 353.42

    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