4,7-Dimethylbenzofuran

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  • Identifiers

    CAS number
    28715-26-6

    Molecular formula
    C10H10O

    SMILES
    CC1=C2C=COC2=C(C=C1)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 58.14%
    Sweet 50.84%
    Leathery 45.18%
    Burnt 44.1%
    Smoky 43.13%
    Nutty 42.76%
    Tobacco 42.48%
    Roasted 42.09%
    Musty 41.08%
    Earthy 40.61%

     

    Flavor
    Phenolic 41.32%
    Smoke 35.44%
    Medicinal 32.58%
    Coffee 30.85%
    Musty 30.48%
    Leather 30.03%
    Nutty 29.4%
    Burnt 28.72%
    Smoky 28.21%
    Fecal 27.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.42 (neutral)

    Molecular weight
    146.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 79.31 ˚C est.

  • Synonyms

    • 4,7-DIMETHYLBENZOFURAN
    • 28715-26-6
    • Benzofuran, 4,7-dimethyl-
    • UNII-VZF5S5L4YY
    • VZF5S5L4YY
    • EINECS 249-184-6
    • DTXSID00182875
    • RefChem:96741
    • DTXCID40105366
    • 249-184-6
    • PFXVPEGRXODMIQ-UHFFFAOYSA-N
    • 4,7-Dimethyl-1-benzofuran
    • SCHEMBL806473
    • 4,7-Dimethyl-1-benzofuran #
    • Benzofuran, 4,?7-?dimethyl-
    • SCHEMBL1132505
    • SCHEMBL31120928
    • CHEBI:89720
    • MFCD13192461
    • AKOS026733690
    • MSK171162-100M
    • AS-80803
    • Benzofuran pound not 4 pound not7-dimethyl-
    • NS00028529
    • E77580
    • Q27161910
    • 4,7-Dimethylbenzofuran Solution in Methanol, 100ug/mL
    • 28715-26-6

  • Applications

    4,7-Dimethylbenzofuran (CAS 28715-26-6) is primarily used as an organic synthesis intermediate, serving as a building block for benzofuran-containing compounds in pharmaceutical and agrochemical research and for the development of fine chemicals. In perfumery and cosmetics, it may function as a fragrance intermediate or odorant precursor, contributing to woody and balsamic notes in formulations. It is also employed as a precursor for dye and pigment synthesis and as a functional unit in specialty polymers and coatings, with additional use in research and development as a starting material to access new derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 611.53
    methanol 740.0
    isopropanol 390.22
    water 3.16
    ethyl acetate 701.16
    n-propanol 501.17
    acetone 790.93
    n-butanol 471.33
    acetonitrile 801.11
    DMF 804.52
    toluene 470.89
    isobutanol 383.56
    1,4-dioxane 2087.29
    methyl acetate 692.86
    THF 2131.03
    2-butanone 635.18
    n-pentanol 419.14
    sec-butanol 369.1
    n-hexane 287.61
    ethylene glycol 123.51
    NMP 598.74
    cyclohexane 225.72
    DMSO 640.35
    n-butyl acetate 563.08
    n-octanol 295.89
    chloroform 1604.83
    n-propyl acetate 546.52
    acetic acid 313.39
    dichloromethane 1733.58
    cyclohexanone 832.52
    propylene glycol 102.19
    isopropyl acetate 396.64
    DMAc 379.99
    2-ethoxyethanol 637.55
    isopentanol 374.67
    n-heptane 140.7
    ethyl formate 404.63
    1,2-dichloroethane 1151.52
    n-hexanol 472.85
    2-methoxyethanol 794.67
    isobutyl acetate 391.62
    tetrachloromethane 387.85
    n-pentyl acetate 409.25
    transcutol 1221.4
    n-heptanol 258.92
    ethylbenzene 314.15
    MIBK 387.04
    2-propoxyethanol 796.16
    tert-butanol 408.87
    MTBE 579.83
    2-butoxyethanol 415.59
    propionic acid 312.37
    o-xylene 238.82
    formic acid 114.59
    diethyl ether 1103.87
    m-xylene 309.64
    p-xylene 352.28
    chlorobenzene 484.97
    dimethyl carbonate 328.91
    n-octane 90.6
    formamide 217.32
    cyclopentanone 1077.09
    2-pentanone 609.22
    anisole 559.2
    cyclopentyl methyl ether 952.02
    gamma-butyrolactone 1172.41
    1-methoxy-2-propanol 566.85
    pyridine 865.98
    3-pentanone 489.4
    furfural 689.69
    n-dodecane 60.7
    diethylene glycol 495.62
    diisopropyl ether 321.87
    tert-amyl alcohol 350.92
    acetylacetone 535.97
    n-hexadecane 70.28
    acetophenone 360.14
    methyl propionate 575.6
    isopentyl acetate 447.64
    trichloroethylene 1546.59
    n-nonanol 255.84
    cyclohexanol 402.48
    benzyl alcohol 317.07
    2-ethylhexanol 276.52
    isooctanol 223.42
    dipropyl ether 524.28
    1,2-dichlorobenzene 391.05
    ethyl lactate 199.73
    propylene carbonate 510.99
    n-methylformamide 488.89
    2-pentanol 350.0
    n-pentane 189.06
    1-propoxy-2-propanol 446.56
    1-methoxy-2-propyl acetate 416.21
    2-(2-methoxypropoxy) propanol 310.14
    mesitylene 212.39
    ε-caprolactone 700.94
    p-cymene 152.47
    epichlorohydrin 1489.63
    1,1,1-trichloroethane 848.67
    2-aminoethanol 205.37
    morpholine-4-carbaldehyde 850.74
    sulfolane 874.98
    2,2,4-trimethylpentane 80.03
    2-methyltetrahydrofuran 1356.5
    n-hexyl acetate 554.84
    isooctane 78.64
    2-(2-butoxyethoxy)ethanol 485.8
    sec-butyl acetate 350.11
    tert-butyl acetate 413.8
    decalin 127.44
    glycerin 157.41
    diglyme 855.56
    acrylic acid 259.39
    isopropyl myristate 227.71
    n-butyric acid 394.14
    acetyl acetate 308.97
    di(2-ethylhexyl) phthalate 148.51
    ethyl propionate 486.02
    nitromethane 660.27
    1,2-diethoxyethane 737.71
    benzonitrile 391.48
    trioctyl phosphate 131.14
    1-bromopropane 750.1
    gamma-valerolactone 1076.02
    n-decanol 196.3
    triethyl phosphate 165.89
    4-methyl-2-pentanol 216.9
    propionitrile 624.04
    vinylene carbonate 501.56
    1,1,2-trichlorotrifluoroethane 442.25
    DMS 419.31
    cumene 216.84
    2-octanol 220.5
    2-hexanone 515.97
    octyl acetate 269.19
    limonene 204.01
    1,2-dimethoxyethane 1106.55
    ethyl orthosilicate 168.44
    tributyl phosphate 162.19
    diacetone alcohol 346.95
    N,N-dimethylaniline 335.25
    acrylonitrile 648.94
    aniline 359.88
    1,3-propanediol 346.14
    bromobenzene 538.56
    dibromomethane 1185.88
    1,1,2,2-tetrachloroethane 1043.66
    2-methyl-cyclohexyl acetate 258.22
    tetrabutyl urea 194.87
    diisobutyl methanol 171.57
    2-phenylethanol 321.36
    styrene 363.31
    dioctyl adipate 242.07
    dimethyl sulfate 332.61
    ethyl butyrate 369.38
    methyl lactate 196.94
    butyl lactate 217.4
    diethyl carbonate 244.79
    propanediol butyl ether 272.42
    triethyl orthoformate 246.58
    p-tert-butyltoluene 152.38
    methyl 4-tert-butylbenzoate 285.67
    morpholine 1616.89
    tert-butylamine 336.82
    n-dodecanol 157.11
    dimethoxymethane 995.45
    ethylene carbonate 489.2
    cyrene 271.71
    2-ethoxyethyl acetate 492.18
    2-ethylhexyl acetate 372.41
    1,2,4-trichlorobenzene 414.32
    4-methylpyridine 760.33
    dibutyl ether 503.15
    2,6-dimethyl-4-heptanol 171.57
    DEF 553.65
    dimethyl isosorbide 514.11
    tetrachloroethylene 802.36
    eugenol 309.85
    triacetin 314.37
    span 80 253.82
    1,4-butanediol 189.98
    1,1-dichloroethane 940.52
    2-methyl-1-pentanol 332.58
    methyl formate 453.12
    2-methyl-1-butanol 376.86
    n-decane 103.53
    butyronitrile 590.86
    3,7-dimethyl-1-octanol 246.02
    1-chlorooctane 288.94
    1-chlorotetradecane 123.2
    n-nonane 112.54
    undecane 77.93
    tert-butylcyclohexane 125.68
    cyclooctane 110.3
    cyclopentanol 463.67
    tetrahydropyran 1541.22
    tert-amyl methyl ether 418.65
    2,5,8-trioxanonane 517.95
    1-hexene 547.97
    2-isopropoxyethanol 465.78
    2,2,2-trifluoroethanol 145.52
    methyl butyrate 543.51

    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