Ethanone, 1-(3-methyl-2-benzofuranyl)-

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  • Identifiers

    CAS number
    23911-56-0

    Molecular formula
    C11H10O2

    SMILES
    CC1=C(OC2=CC=CC=C12)C(=O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 76.32%
    Sweet 66.49%
    Powdery 51.17%
    Neroli 43.95%
    Coumarinic 43.55%
    Hay 39.85%
    Honey 39.7%
    Nutty 36.6%
    Vanilla 35.69%
    Hawthorn 34.06%

     

    Flavor
    Nutty 38.02%
    Bitter 34.98%
    Sweet 32.6%
    Musty 31.32%
    Burnt 30.81%
    Tobacco 30.19%
    Roasted 29.15%
    Earthy 28.53%
    Popcorn 28.13%
    Corn 27.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.0 (neutral)

    Molecular weight
    174.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 118.63 ˚C est.

  • Synonyms

    • 23911-56-0
    • 1-(3-methylbenzofuran-2-yl)ethanone
    • 1-(3-methyl-1-benzofuran-2-yl)ethanone
    • Ethanone, 1-(3-methyl-2-benzofuranyl)-
    • 1-(3-methyl-benzofuranyl)-ethanone
    • 1-(3-Methyl-2-benzofuranyl)ethanone
    • DTXSID9074357
    • Nerolione
    • 1-(3-methyl-1-benzofuran-2-yl)ethan-1-one
    • MFCD06357331
    • 1-(3-methyl-benzofuran-2-yl)ethanone
    • SCHEMBL114250
    • DTXCID6036964
    • SC5132
    • AKOS000118699
    • 3-methylbenzo(b)furan-2-yl methyl ketone
    • AS-54694
    • DB-300576
    • CS-0062605
    • NS00019963
    • EN300-09267
    • Z56346921

  • Applications

    Ethanone, 1-(3-methyl-2-benzofuranyl)- (CAS 23911-56-0) is an aryl ketone used primarily as an aroma-chemical intermediate and fragrance ingredient. In perfumery and cosmetics, it contributes to aroma profiles and serves as a building block for more complex fragrance molecules. It is also used in household products, such as air fresheners and cleaners, as a fragrance additive. In industrial manufacturing, it functions as a synthetic intermediate for aroma compounds and related research chemicals. In coatings and inks, it can be employed to impart scent and as a precursor in fragrance formulations. In pharmaceutical development, it may be evaluated as a synthetic building block in medicinal chemistry programs, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 392.66
    methanol 617.7
    isopropanol 257.37
    water 10.17
    ethyl acetate 638.18
    n-propanol 330.19
    acetone 903.11
    n-butanol 299.05
    acetonitrile 717.64
    DMF 1320.62
    toluene 412.06
    isobutanol 249.97
    1,4-dioxane 983.51
    methyl acetate 665.95
    THF 1124.95
    2-butanone 582.29
    n-pentanol 256.72
    sec-butanol 261.79
    n-hexane 67.6
    ethylene glycol 148.39
    NMP 637.4
    cyclohexane 115.4
    DMSO 634.85
    n-butyl acetate 372.94
    n-octanol 204.49
    chloroform 1545.34
    n-propyl acetate 405.56
    acetic acid 300.82
    dichloromethane 2146.57
    cyclohexanone 675.79
    propylene glycol 89.53
    isopropyl acetate 287.41
    DMAc 703.63
    2-ethoxyethanol 459.13
    isopentanol 230.76
    n-heptane 67.52
    ethyl formate 599.84
    1,2-dichloroethane 1114.56
    n-hexanol 236.34
    2-methoxyethanol 706.3
    isobutyl acetate 231.02
    tetrachloromethane 265.31
    n-pentyl acetate 300.85
    transcutol 704.41
    n-heptanol 161.2
    ethylbenzene 277.04
    MIBK 265.05
    2-propoxyethanol 419.2
    tert-butanol 269.96
    MTBE 286.94
    2-butoxyethanol 270.87
    propionic acid 280.8
    o-xylene 255.27
    formic acid 168.11
    diethyl ether 515.77
    m-xylene 278.06
    p-xylene 355.58
    chlorobenzene 473.12
    dimethyl carbonate 410.84
    n-octane 48.35
    formamide 407.85
    cyclopentanone 879.57
    2-pentanone 505.83
    anisole 485.6
    cyclopentyl methyl ether 470.84
    gamma-butyrolactone 990.4
    1-methoxy-2-propanol 393.04
    pyridine 830.11
    3-pentanone 438.14
    furfural 770.61
    n-dodecane 41.61
    diethylene glycol 340.76
    diisopropyl ether 130.96
    tert-amyl alcohol 232.85
    acetylacetone 560.75
    n-hexadecane 47.21
    acetophenone 407.5
    methyl propionate 558.15
    isopentyl acetate 274.6
    trichloroethylene 1514.25
    n-nonanol 179.06
    cyclohexanol 261.64
    benzyl alcohol 334.08
    2-ethylhexanol 165.23
    isooctanol 130.44
    dipropyl ether 272.56
    1,2-dichlorobenzene 421.14
    ethyl lactate 177.09
    propylene carbonate 501.68
    n-methylformamide 745.34
    2-pentanol 191.12
    n-pentane 67.94
    1-propoxy-2-propanol 251.33
    1-methoxy-2-propyl acetate 301.76
    2-(2-methoxypropoxy) propanol 233.97
    mesitylene 156.37
    ε-caprolactone 539.73
    p-cymene 140.88
    epichlorohydrin 1119.71
    1,1,1-trichloroethane 645.48
    2-aminoethanol 199.94
    morpholine-4-carbaldehyde 763.38
    sulfolane 698.34
    2,2,4-trimethylpentane 31.43
    2-methyltetrahydrofuran 622.38
    n-hexyl acetate 397.73
    isooctane 24.11
    2-(2-butoxyethoxy)ethanol 332.6
    sec-butyl acetate 227.4
    tert-butyl acetate 248.09
    decalin 59.06
    glycerin 133.99
    diglyme 689.67
    acrylic acid 257.56
    isopropyl myristate 164.16
    n-butyric acid 353.54
    acetyl acetate 334.54
    di(2-ethylhexyl) phthalate 131.33
    ethyl propionate 397.58
    nitromethane 830.35
    1,2-diethoxyethane 414.69
    benzonitrile 442.58
    trioctyl phosphate 107.67
    1-bromopropane 531.19
    gamma-valerolactone 876.4
    n-decanol 139.18
    triethyl phosphate 135.51
    4-methyl-2-pentanol 112.93
    propionitrile 556.04
    vinylene carbonate 587.03
    1,1,2-trichlorotrifluoroethane 397.8
    DMS 349.09
    cumene 175.56
    2-octanol 139.61
    2-hexanone 353.11
    octyl acetate 213.89
    limonene 159.86
    1,2-dimethoxyethane 894.85
    ethyl orthosilicate 129.73
    tributyl phosphate 143.12
    diacetone alcohol 244.7
    N,N-dimethylaniline 300.21
    acrylonitrile 743.56
    aniline 340.35
    1,3-propanediol 279.23
    bromobenzene 534.01
    dibromomethane 1196.19
    1,1,2,2-tetrachloroethane 905.62
    2-methyl-cyclohexyl acetate 202.17
    tetrabutyl urea 183.05
    diisobutyl methanol 98.07
    2-phenylethanol 264.44
    styrene 339.94
    dioctyl adipate 211.37
    dimethyl sulfate 396.69
    ethyl butyrate 320.25
    methyl lactate 199.48
    butyl lactate 179.66
    diethyl carbonate 236.29
    propanediol butyl ether 207.12
    triethyl orthoformate 181.98
    p-tert-butyltoluene 123.33
    methyl 4-tert-butylbenzoate 258.98
    morpholine 789.48
    tert-butylamine 198.98
    n-dodecanol 113.25
    dimethoxymethane 960.56
    ethylene carbonate 504.38
    cyrene 222.73
    2-ethoxyethyl acetate 362.9
    2-ethylhexyl acetate 224.69
    1,2,4-trichlorobenzene 400.56
    4-methylpyridine 702.32
    dibutyl ether 274.21
    2,6-dimethyl-4-heptanol 98.07
    DEF 572.65
    dimethyl isosorbide 391.39
    tetrachloroethylene 757.82
    eugenol 290.36
    triacetin 297.93
    span 80 175.49
    1,4-butanediol 160.76
    1,1-dichloroethane 786.58
    2-methyl-1-pentanol 212.61
    methyl formate 795.08
    2-methyl-1-butanol 239.97
    n-decane 64.51
    butyronitrile 483.16
    3,7-dimethyl-1-octanol 156.56
    1-chlorooctane 188.77
    1-chlorotetradecane 84.65
    n-nonane 64.61
    undecane 50.42
    tert-butylcyclohexane 51.27
    cyclooctane 46.9
    cyclopentanol 297.32
    tetrahydropyran 661.84
    tert-amyl methyl ether 230.38
    2,5,8-trioxanonane 426.59
    1-hexene 206.46
    2-isopropoxyethanol 303.19
    2,2,2-trifluoroethanol 184.77
    methyl butyrate 514.95

    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