Benzofuran, 3,6-dimethyl-

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  • Identifiers

    CAS number
    24410-50-2

    Molecular formula
    C10H10O

    SMILES
    CC1=CC2=C(C=C1)C(=CO2)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 59.38%
    Sweet 48.18%
    Leathery 46.18%
    Smoky 44.49%
    Burnt 44.15%
    Tobacco 42.84%
    Nutty 41.4%
    Woody 40.85%
    Roasted 40.15%
    Animal 39.86%

     

    Flavor
    Phenolic 44.43%
    Smoke 35.81%
    Leather 34.3%
    Medicinal 34.1%
    Coffee 30.47%
    Smoky 30.21%
    Nutty 30.13%
    Musty 29.81%
    Tobacco 28.87%
    Fecal 28.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.64 (neutral)

    Molecular weight
    146.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    229°C

    Flash point

    • 84.56 ˚C est.

  • Synonyms

    • 3,6-Dimethylbenzofuran
    • Benzofuran, 3,6-dimethyl-
    • 24410-50-2
    • 3,6-dimethyl-1-benzofuran
    • NSC79258
    • 3,6 dimethyl benzo[b]furan
    • SCHEMBL4034664
    • SCHEMBL5986723
    • DTXSID20947286
    • BENZOFURAN,3,6-DIMETHYL-
    • MFCD16658158
    • NSC-79258
    • SY310508
    • DS-010366
    • 24410-50-2

  • Applications

    Benzofuran, 3,6-dimethyl- (CAS 24410-50-2) is used as a chemical intermediate and fragrance component in industrial formulations. Key applications include: an odorant in perfumery and cosmetics; an intermediate for the synthesis of heterocyclic frameworks that serve as cores in pharmaceuticals and agricultural chemicals; a building block for polymers and plastic materials; a precursor for coatings and inks; and a reagent for research and development in organic chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 430.27
    methanol 289.54
    isopropanol 358.85
    water 1.1
    ethyl acetate 671.09
    n-propanol 399.07
    acetone 640.46
    n-butanol 402.51
    acetonitrile 701.49
    DMF 557.53
    toluene 430.2
    isobutanol 323.98
    1,4-dioxane 1008.3
    methyl acetate 602.18
    THF 1223.74
    2-butanone 628.24
    n-pentanol 328.18
    sec-butanol 385.09
    n-hexane 190.74
    ethylene glycol 45.89
    NMP 301.31
    cyclohexane 205.17
    DMSO 256.13
    n-butyl acetate 545.08
    n-octanol 294.22
    chloroform 1457.42
    n-propyl acetate 431.54
    acetic acid 220.04
    dichloromethane 1471.6
    cyclohexanone 638.6
    propylene glycol 78.89
    isopropyl acetate 315.16
    DMAc 367.66
    2-ethoxyethanol 327.88
    isopentanol 343.46
    n-heptane 192.84
    ethyl formate 445.02
    1,2-dichloroethane 675.72
    n-hexanol 476.05
    2-methoxyethanol 401.52
    isobutyl acetate 288.08
    tetrachloromethane 295.01
    n-pentyl acetate 302.57
    transcutol 851.88
    n-heptanol 236.7
    ethylbenzene 313.46
    MIBK 293.99
    2-propoxyethanol 445.44
    tert-butanol 399.4
    MTBE 450.73
    2-butoxyethanol 287.25
    propionic acid 235.62
    o-xylene 247.15
    formic acid 51.89
    diethyl ether 736.32
    m-xylene 284.9
    p-xylene 387.9
    chlorobenzene 380.46
    dimethyl carbonate 213.34
    n-octane 84.98
    formamide 144.28
    cyclopentanone 673.3
    2-pentanone 522.35
    anisole 454.93
    cyclopentyl methyl ether 502.36
    gamma-butyrolactone 628.5
    1-methoxy-2-propanol 322.19
    pyridine 710.63
    3-pentanone 418.9
    furfural 480.26
    n-dodecane 59.84
    diethylene glycol 210.19
    diisopropyl ether 205.31
    tert-amyl alcohol 381.2
    acetylacetone 382.86
    n-hexadecane 67.36
    acetophenone 317.27
    methyl propionate 451.14
    isopentyl acetate 405.07
    trichloroethylene 1113.32
    n-nonanol 251.98
    cyclohexanol 332.75
    benzyl alcohol 277.77
    2-ethylhexanol 313.97
    isooctanol 200.36
    dipropyl ether 513.53
    1,2-dichlorobenzene 299.74
    ethyl lactate 149.85
    propylene carbonate 392.09
    n-methylformamide 316.31
    2-pentanol 324.12
    n-pentane 150.29
    1-propoxy-2-propanol 341.35
    1-methoxy-2-propyl acetate 309.09
    2-(2-methoxypropoxy) propanol 290.0
    mesitylene 171.99
    ε-caprolactone 487.88
    p-cymene 191.02
    epichlorohydrin 773.95
    1,1,1-trichloroethane 635.85
    2-aminoethanol 119.49
    morpholine-4-carbaldehyde 498.68
    sulfolane 365.66
    2,2,4-trimethylpentane 65.63
    2-methyltetrahydrofuran 797.34
    n-hexyl acetate 434.5
    isooctane 54.56
    2-(2-butoxyethoxy)ethanol 387.66
    sec-butyl acetate 279.85
    tert-butyl acetate 273.92
    decalin 103.71
    glycerin 79.19
    diglyme 653.23
    acrylic acid 161.09
    isopropyl myristate 203.33
    n-butyric acid 370.28
    acetyl acetate 283.11
    di(2-ethylhexyl) phthalate 146.58
    ethyl propionate 376.02
    nitromethane 458.75
    1,2-diethoxyethane 530.0
    benzonitrile 366.75
    trioctyl phosphate 115.71
    1-bromopropane 612.82
    gamma-valerolactone 644.46
    n-decanol 198.39
    triethyl phosphate 141.91
    4-methyl-2-pentanol 187.62
    propionitrile 601.05
    vinylene carbonate 403.13
    1,1,2-trichlorotrifluoroethane 265.34
    DMS 274.54
    cumene 214.82
    2-octanol 204.8
    2-hexanone 406.41
    octyl acetate 243.82
    limonene 234.23
    1,2-dimethoxyethane 767.27
    ethyl orthosilicate 142.54
    tributyl phosphate 142.59
    diacetone alcohol 255.8
    N,N-dimethylaniline 294.73
    acrylonitrile 561.93
    aniline 334.17
    1,3-propanediol 202.83
    bromobenzene 426.73
    dibromomethane 1028.56
    1,1,2,2-tetrachloroethane 708.23
    2-methyl-cyclohexyl acetate 249.9
    tetrabutyl urea 178.93
    diisobutyl methanol 165.46
    2-phenylethanol 302.07
    styrene 347.27
    dioctyl adipate 240.86
    dimethyl sulfate 156.59
    ethyl butyrate 390.77
    methyl lactate 125.81
    butyl lactate 177.21
    diethyl carbonate 280.55
    propanediol butyl ether 221.11
    triethyl orthoformate 222.78
    p-tert-butyltoluene 171.28
    methyl 4-tert-butylbenzoate 266.87
    morpholine 865.92
    tert-butylamine 343.19
    n-dodecanol 162.64
    dimethoxymethane 534.21
    ethylene carbonate 355.75
    cyrene 216.11
    2-ethoxyethyl acetate 342.33
    2-ethylhexyl acetate 332.86
    1,2,4-trichlorobenzene 302.77
    4-methylpyridine 632.48
    dibutyl ether 427.25
    2,6-dimethyl-4-heptanol 165.46
    DEF 433.52
    dimethyl isosorbide 408.28
    tetrachloroethylene 515.13
    eugenol 251.9
    triacetin 287.0
    span 80 243.91
    1,4-butanediol 109.58
    1,1-dichloroethane 753.79
    2-methyl-1-pentanol 317.89
    methyl formate 298.02
    2-methyl-1-butanol 335.51
    n-decane 104.82
    butyronitrile 606.51
    3,7-dimethyl-1-octanol 252.27
    1-chlorooctane 250.42
    1-chlorotetradecane 111.37
    n-nonane 114.29
    undecane 75.91
    tert-butylcyclohexane 99.78
    cyclooctane 90.11
    cyclopentanol 335.91
    tetrahydropyran 982.45
    tert-amyl methyl ether 335.67
    2,5,8-trioxanonane 441.82
    1-hexene 453.66
    2-isopropoxyethanol 278.97
    2,2,2-trifluoroethanol 95.44
    methyl butyrate 474.11

    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