7-Methylbenzofuran

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  • Identifiers

    CAS number
    17059-52-8

    Molecular formula
    C9H8O

    SMILES
    CC1=C2C(=CC=C1)C=CO2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 60.71%
    Phenolic 55.47%
    Burnt 47.99%
    Tobacco 41.75%
    Nutty 41.46%
    Pungent 41.23%
    Earthy 40.46%
    Smoky 40.18%
    Floral 39.05%
    Musty 38.77%

     

    Flavor
    Phenolic 42.68%
    Tobacco 39.25%
    Nutty 35.03%
    Coffee 34.88%
    Leather 34.56%
    Smoke 31.92%
    Fecal 31.9%
    Musty 31.59%
    Medicinal 31.18%
    Earthy 30.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.33 (neutral)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point

    • 69.62 ˚C est.

  • Synonyms

    • 7-Methylbenzofuran
    • 17059-52-8
    • GZ7272436A
    • DTXSID60168892
    • RefChem:1074497
    • DTXCID7091383
    • 241-123-1
    • 7-Methyl-1-benzofuran
    • Benzofuran, 7-methyl-
    • 7-methyl-benzofuran
    • MFCD00138125
    • 7-Methylbenzo[b]furan
    • UNII-GZ7272436A
    • EINECS 241-123-1
    • 7-Methyl-1-benzofuran #
    • SCHEMBL288995
    • SCHEMBL288996
    • SCHEMBL3378262
    • SCHEMBL4461803
    • SCHEMBL4468078
    • SCHEMBL16411671
    • SCHEMBL21295890
    • SCHEMBL29822798
    • AKOS006275455
    • MB00742
    • MS-1751
    • DA-20253
    • CS-0328552
    • NS00025592
    • G86844
    • AB-145/25000224
    • F727716
    • Q27279367
    • InChI=1/C9H8O/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6H,1H
    • 17059-52-8

  • Applications

    7-Methylbenzofuran may serve as an intermediate in organic synthesis for pharmaceuticals and agrochemicals, providing a substituted benzofuran scaffold; it can be used as a building block in polymer and materials research. It is also employed as an odorant/fragrance component in perfumery and cosmetic products, and may be evaluated for use in household products and cleaning formulations as well as in coatings and inks. Use in other sectors, where appropriate, is subject to regulatory and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1106.82
    methanol 1808.26
    isopropanol 616.49
    water 6.66
    ethyl acetate 915.82
    n-propanol 820.43
    acetone 858.48
    n-butanol 796.74
    acetonitrile 852.79
    DMF 833.28
    toluene 393.62
    isobutanol 610.84
    1,4-dioxane 1390.42
    methyl acetate 607.69
    THF 1993.83
    2-butanone 662.76
    n-pentanol 675.01
    sec-butanol 526.47
    n-hexane 254.0
    ethylene glycol 216.0
    NMP 480.01
    cyclohexane 193.59
    DMSO 641.97
    n-butyl acetate 495.12
    n-octanol 219.17
    chloroform 1419.54
    n-propyl acetate 506.45
    acetic acid 592.41
    dichloromethane 1849.91
    cyclohexanone 709.66
    propylene glycol 154.5
    isopropyl acetate 441.73
    DMAc 366.27
    2-ethoxyethanol 1004.21
    isopentanol 629.77
    n-heptane 128.81
    ethyl formate 520.63
    1,2-dichloroethane 1065.49
    n-hexanol 517.59
    2-methoxyethanol 1267.37
    isobutyl acetate 313.28
    tetrachloromethane 301.29
    n-pentyl acetate 311.6
    transcutol 2255.92
    n-heptanol 212.38
    ethylbenzene 232.19
    MIBK 446.37
    2-propoxyethanol 863.42
    tert-butanol 577.2
    MTBE 622.52
    2-butoxyethanol 391.36
    propionic acid 351.82
    o-xylene 188.8
    formic acid 354.34
    diethyl ether 1454.61
    m-xylene 243.13
    p-xylene 225.72
    chlorobenzene 396.97
    dimethyl carbonate 301.61
    n-octane 59.05
    formamide 561.04
    cyclopentanone 835.49
    2-pentanone 744.88
    anisole 509.47
    cyclopentyl methyl ether 885.85
    gamma-butyrolactone 840.33
    1-methoxy-2-propanol 740.03
    pyridine 805.95
    3-pentanone 529.15
    furfural 640.21
    n-dodecane 38.45
    diethylene glycol 578.06
    diisopropyl ether 342.68
    tert-amyl alcohol 458.13
    acetylacetone 564.92
    n-hexadecane 42.58
    acetophenone 312.16
    methyl propionate 597.18
    isopentyl acetate 409.84
    trichloroethylene 1324.46
    n-nonanol 197.05
    cyclohexanol 428.1
    benzyl alcohol 339.85
    2-ethylhexanol 273.87
    isooctanol 187.46
    dipropyl ether 556.41
    1,2-dichlorobenzene 336.95
    ethyl lactate 172.05
    propylene carbonate 419.93
    n-methylformamide 677.91
    2-pentanol 527.18
    n-pentane 240.14
    1-propoxy-2-propanol 465.12
    1-methoxy-2-propyl acetate 420.21
    2-(2-methoxypropoxy) propanol 352.29
    mesitylene 154.63
    ε-caprolactone 572.0
    p-cymene 114.68
    epichlorohydrin 1415.05
    1,1,1-trichloroethane 637.05
    2-aminoethanol 397.73
    morpholine-4-carbaldehyde 745.95
    sulfolane 668.77
    2,2,4-trimethylpentane 75.65
    2-methyltetrahydrofuran 1223.41
    n-hexyl acetate 423.58
    isooctane 72.64
    2-(2-butoxyethoxy)ethanol 582.16
    sec-butyl acetate 318.31
    tert-butyl acetate 427.42
    decalin 89.4
    glycerin 217.66
    diglyme 993.56
    acrylic acid 284.12
    isopropyl myristate 186.44
    n-butyric acid 609.0
    acetyl acetate 347.16
    di(2-ethylhexyl) phthalate 130.0
    ethyl propionate 443.15
    nitromethane 876.03
    1,2-diethoxyethane 968.2
    benzonitrile 362.27
    trioctyl phosphate 102.31
    1-bromopropane 799.84
    gamma-valerolactone 916.62
    n-decanol 149.78
    triethyl phosphate 146.02
    4-methyl-2-pentanol 295.33
    propionitrile 711.08
    vinylene carbonate 403.54
    1,1,2-trichlorotrifluoroethane 432.88
    DMS 357.92
    cumene 153.15
    2-octanol 160.88
    2-hexanone 508.82
    octyl acetate 208.75
    limonene 161.15
    1,2-dimethoxyethane 1364.02
    ethyl orthosilicate 156.8
    tributyl phosphate 141.22
    diacetone alcohol 396.55
    N,N-dimethylaniline 270.5
    acrylonitrile 658.73
    aniline 397.09
    1,3-propanediol 574.28
    bromobenzene 416.55
    dibromomethane 1203.38
    1,1,2,2-tetrachloroethane 803.24
    2-methyl-cyclohexyl acetate 235.62
    tetrabutyl urea 163.09
    diisobutyl methanol 165.48
    2-phenylethanol 293.46
    styrene 309.38
    dioctyl adipate 210.66
    dimethyl sulfate 259.27
    ethyl butyrate 372.72
    methyl lactate 188.01
    butyl lactate 181.08
    diethyl carbonate 239.02
    propanediol butyl ether 269.39
    triethyl orthoformate 238.81
    p-tert-butyltoluene 108.54
    methyl 4-tert-butylbenzoate 233.41
    morpholine 1378.68
    tert-butylamine 451.61
    n-dodecanol 118.52
    dimethoxymethane 1224.8
    ethylene carbonate 381.89
    cyrene 269.28
    2-ethoxyethyl acetate 475.44
    2-ethylhexyl acetate 313.51
    1,2,4-trichlorobenzene 313.05
    4-methylpyridine 668.38
    dibutyl ether 447.16
    2,6-dimethyl-4-heptanol 165.48
    DEF 678.09
    dimethyl isosorbide 533.9
    tetrachloroethylene 701.59
    eugenol 271.27
    triacetin 295.69
    span 80 245.5
    1,4-butanediol 296.75
    1,1-dichloroethane 850.92
    2-methyl-1-pentanol 540.73
    methyl formate 521.47
    2-methyl-1-butanol 589.45
    n-decane 65.18
    butyronitrile 764.3
    3,7-dimethyl-1-octanol 229.87
    1-chlorooctane 192.06
    1-chlorotetradecane 81.44
    n-nonane 70.17
    undecane 48.01
    tert-butylcyclohexane 86.06
    cyclooctane 92.05
    cyclopentanol 486.19
    tetrahydropyran 1331.53
    tert-amyl methyl ether 467.29
    2,5,8-trioxanonane 643.5
    1-hexene 565.24
    2-isopropoxyethanol 637.5
    2,2,2-trifluoroethanol 188.79
    methyl butyrate 522.91

    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