2-Methylbenzofuran

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  • Identifiers

    CAS number
    4265-25-2

    Molecular formula
    C9H8O

    SMILES
    CC1=CC2=CC=CC=C2O1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Phenolic 59.94%
    Burnt 56.78%
    Smoky 44.39%
    Roasted 43.16%
    Sweet 42.07%
    Pungent 40.33%
    Nutty 38.12%
    Meaty 36.92%
    Musty 36.21%
    Leathery 36.1%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point est.
    63.81 ˚C

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-METHYLBENZOFURAN
    • 4265-25-2
    • 2-Methyl-1-benzofuran
    • 2-Methylcumarone
    • Benzofuran, 2-methyl-
    • 2-Methylbenzo[b]furan
    • 2-methyl-benzofuran
    • UNII-8X3183BZ3X
    • 8X3183BZ3X
    • EINECS 224-249-1
    • MFCD00005850
    • AI3-11240
    • FEMA NO. 4543
    • DTXSID40863353
    • 2-METHYLBENZO(B)FURAN
    • 2-Methyl benzo(b)furan
    • 2-Methyl-1-benzofuran #
    • 2-Methylbenzofuran, 96%
    • SCHEMBL12264
    • 2- METHYLBENZO(B)FURAN
    • CHEBI:89722
    • DTXCID90811985
    • AKOS015889444
    • CS-W013412
    • AC-37134
    • AS-56948
    • SY039830
    • DB-050953
    • NS00047151
    • EN300-108850
    • F11695
    • Q27161912
    • Z1255386706
    • 2-Methylbenzofuran; 2-Methylbenzo[b]furan; 2-Methylcumarone
    • 224-249-1

  • Applications

    2-Methylbenzofuran (CAS 4265-25-2) is an electron-rich aromatic heterocycle used primarily as a versatile intermediate in organic synthesis, enabling construction of benzofuran scaffolds for pharmaceutical and agrochemical research (e.g., benzylic methyl oxidation to aldehydes/acids, benzylic halogenation, and C-C/C-N cross-couplings such as Suzuki/Heck after pre-functionalization), the development of fluorescent probes, push-pull dyes, conducting polymers and optoelectronic materials owing to its donor character and conjugation, and it is also explored in flavor and fragrance R&D as a heteroaromatic note and as a reference/calibration standard in chromatographic-mass spectrometric analysis; additionally, it commonly features in SAR libraries, studies of C-H activation, borylation and selective oxidation, and as a modular building block for sensors, biological labels and functionalized benzofuran derivatives used in materials discovery and bioactive lead generation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 488.28
    methanol 563.26
    isopropanol 346.91
    water 4.06
    ethyl acetate 529.53
    n-propanol 389.39
    acetone 731.95
    n-butanol 375.86
    acetonitrile 474.72
    DMF 816.47
    toluene 263.77
    isobutanol 315.9
    1,4-dioxane 1348.92
    methyl acetate 557.35
    THF 1364.61
    2-butanone 546.57
    n-pentanol 329.08
    sec-butanol 350.31
    n-hexane 186.5
    ethylene glycol 220.56
    NMP 694.69
    cyclohexane 132.92
    DMSO 878.73
    n-butyl acetate 330.59
    n-octanol 302.06
    chloroform 1038.16
    n-propyl acetate 365.74
    acetic acid 287.29
    dichloromethane 1167.9
    cyclohexanone 618.07
    propylene glycol 204.49
    isopropyl acetate 291.09
    DMAc 633.96
    2-ethoxyethanol 591.41
    isopentanol 315.2
    n-heptane 104.05
    ethyl formate 290.4
    1,2-dichloroethane 669.41
    n-hexanol 401.56
    2-methoxyethanol 810.04
    isobutyl acetate 258.22
    tetrachloromethane 202.91
    n-pentyl acetate 284.63
    transcutol 1371.91
    n-heptanol 206.69
    ethylbenzene 198.39
    MIBK 320.21
    2-propoxyethanol 743.04
    tert-butanol 364.67
    MTBE 457.77
    2-butoxyethanol 368.03
    propionic acid 317.81
    o-xylene 172.33
    formic acid 109.52
    diethyl ether 672.19
    m-xylene 189.21
    p-xylene 233.82
    chlorobenzene 313.15
    dimethyl carbonate 321.44
    n-octane 65.23
    formamide 181.72
    cyclopentanone 795.69
    2-pentanone 483.72
    anisole 455.44
    cyclopentyl methyl ether 657.31
    gamma-butyrolactone 814.9
    1-methoxy-2-propanol 634.69
    pyridine 515.32
    3-pentanone 414.83
    furfural 542.58
    n-dodecane 60.59
    diethylene glycol 589.09
    diisopropyl ether 217.17
    tert-amyl alcohol 341.59
    acetylacetone 527.28
    n-hexadecane 67.42
    acetophenone 317.2
    methyl propionate 490.74
    isopentyl acetate 271.74
    trichloroethylene 903.67
    n-nonanol 261.92
    cyclohexanol 328.67
    benzyl alcohol 267.06
    2-ethylhexanol 241.6
    isooctanol 175.83
    dipropyl ether 384.17
    1,2-dichlorobenzene 283.75
    ethyl lactate 218.35
    propylene carbonate 424.46
    n-methylformamide 368.78
    2-pentanol 295.95
    n-pentane 112.72
    1-propoxy-2-propanol 424.13
    1-methoxy-2-propyl acetate 344.52
    2-(2-methoxypropoxy) propanol 379.44
    mesitylene 131.31
    ε-caprolactone 535.99
    p-cymene 113.17
    epichlorohydrin 1051.66
    1,1,1-trichloroethane 516.22
    2-aminoethanol 306.19
    morpholine-4-carbaldehyde 846.9
    sulfolane 821.34
    2,2,4-trimethylpentane 60.34
    2-methyltetrahydrofuran 899.11
    n-hexyl acetate 479.69
    isooctane 52.27
    2-(2-butoxyethoxy)ethanol 546.48
    sec-butyl acetate 250.6
    tert-butyl acetate 318.37
    decalin 98.63
    glycerin 308.51
    diglyme 867.75
    acrylic acid 268.78
    isopropyl myristate 213.6
    n-butyric acid 338.56
    acetyl acetate 295.04
    di(2-ethylhexyl) phthalate 157.56
    ethyl propionate 370.91
    nitromethane 564.59
    1,2-diethoxyethane 556.66
    benzonitrile 279.79
    trioctyl phosphate 132.27
    1-bromopropane 455.44
    gamma-valerolactone 846.6
    n-decanol 210.03
    triethyl phosphate 140.15
    4-methyl-2-pentanol 187.93
    propionitrile 367.77
    vinylene carbonate 375.18
    1,1,2-trichlorotrifluoroethane 416.86
    DMS 416.04
    cumene 154.79
    2-octanol 189.78
    2-hexanone 407.8
    octyl acetate 262.91
    limonene 166.83
    1,2-dimethoxyethane 1007.51
    ethyl orthosilicate 136.56
    tributyl phosphate 161.57
    diacetone alcohol 360.11
    N,N-dimethylaniline 306.85
    acrylonitrile 405.56
    aniline 280.37
    1,3-propanediol 351.61
    bromobenzene 347.19
    dibromomethane 731.78
    1,1,2,2-tetrachloroethane 680.38
    2-methyl-cyclohexyl acetate 215.77
    tetrabutyl urea 213.07
    diisobutyl methanol 142.14
    2-phenylethanol 272.96
    styrene 232.16
    dioctyl adipate 248.68
    dimethyl sulfate 420.0
    ethyl butyrate 271.19
    methyl lactate 264.9
    butyl lactate 210.54
    diethyl carbonate 203.04
    propanediol butyl ether 364.32
    triethyl orthoformate 189.82
    p-tert-butyltoluene 111.23
    methyl 4-tert-butylbenzoate 292.17
    morpholine 1027.2
    tert-butylamine 280.77
    n-dodecanol 175.3
    dimethoxymethane 852.1
    ethylene carbonate 342.02
    cyrene 299.39
    2-ethoxyethyl acetate 386.24
    2-ethylhexyl acetate 225.81
    1,2,4-trichlorobenzene 326.05
    4-methylpyridine 478.39
    dibutyl ether 417.05
    2,6-dimethyl-4-heptanol 142.14
    DEF 515.87
    dimethyl isosorbide 515.07
    tetrachloroethylene 459.12
    eugenol 320.36
    triacetin 356.48
    span 80 305.87
    1,4-butanediol 226.42
    1,1-dichloroethane 588.22
    2-methyl-1-pentanol 298.03
    methyl formate 354.25
    2-methyl-1-butanol 327.67
    n-decane 89.53
    butyronitrile 342.97
    3,7-dimethyl-1-octanol 253.37
    1-chlorooctane 255.3
    1-chlorotetradecane 123.84
    n-nonane 96.48
    undecane 71.8
    tert-butylcyclohexane 96.97
    cyclooctane 66.28
    cyclopentanol 390.04
    tetrahydropyran 849.33
    tert-amyl methyl ether 371.02
    2,5,8-trioxanonane 605.32
    1-hexene 365.52
    2-isopropoxyethanol 443.38
    2,2,2-trifluoroethanol 143.64
    methyl butyrate 435.22

    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

Botanical

Name CAS Botanical Proportion
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Cassia, branch & leaf (China) 1a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.23%
Cassia, branch & leaf (China) 1b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.23%
Hedyotis diffusa (Malaysia) Hedyotis diffusa Willd. (syn. Oldenlandia diffusa Roxb.), fam. Rubiaceae 0.1%
Cassia, bark (China) 5 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.13%
Cassia, bark (China) 3b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.06%