7-Methoxybenzofuran

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  • Identifiers

    CAS number
    7168-85-6

    Molecular formula
    C9H8O2

    SMILES
    COC1=CC=CC2=C1OC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 77.75%
    Phenolic 59.17%
    Nutty 49.38%
    Earthy 45.37%
    Anisic 45.27%
    Vanilla 43.68%
    Burnt 42.26%
    Smoky 40.82%
    Spicy 39.52%
    Musty 36.54%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.83 (weak acid)

    Molecular weight
    148.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point est.
    88.02 ˚C

  • Synonyms

    • 7-Methoxybenzofuran
    • 7168-85-6
    • 7-methoxy-1-benzofuran
    • Benzofuran, 7-methoxy-
    • 7-methoxy-benzofuran
    • MFCD01310825
    • DTXSID80343548
    • 7methoxybenzofuran
    • 7-methoxy benzofuran
    • SCHEMBL595172
    • DTXCID80294627
    • 1-Benzofuran-7-yl methyl ether #
    • 7-Methoxybenzofuran, technical grade
    • AKOS005216607
    • DS-18152
    • SY062464
    • DB-055560
    • CS-0150289

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 381.81
    methanol 427.39
    isopropanol 267.68
    water 7.47
    ethyl acetate 470.01
    n-propanol 314.46
    acetone 792.98
    n-butanol 239.3
    acetonitrile 601.35
    DMF 833.39
    toluene 140.86
    isobutanol 220.19
    1,4-dioxane 1202.4
    methyl acetate 533.91
    THF 1060.31
    2-butanone 465.07
    n-pentanol 213.11
    sec-butanol 235.41
    n-hexane 52.35
    ethylene glycol 255.94
    NMP 420.59
    cyclohexane 69.0
    DMSO 967.73
    n-butyl acetate 247.46
    n-octanol 150.41
    chloroform 972.51
    n-propyl acetate 364.27
    acetic acid 423.31
    dichloromethane 1222.03
    cyclohexanone 499.55
    propylene glycol 158.76
    isopropyl acetate 226.21
    DMAc 365.63
    2-ethoxyethanol 541.22
    isopentanol 189.12
    n-heptane 42.22
    ethyl formate 364.48
    1,2-dichloroethane 787.71
    n-hexanol 177.01
    2-methoxyethanol 760.06
    isobutyl acetate 219.05
    tetrachloromethane 200.58
    n-pentyl acetate 186.14
    transcutol 854.06
    n-heptanol 114.71
    ethylbenzene 120.35
    MIBK 209.92
    2-propoxyethanol 399.97
    tert-butanol 281.55
    MTBE 259.76
    2-butoxyethanol 249.25
    propionic acid 317.55
    o-xylene 101.35
    formic acid 213.45
    diethyl ether 449.53
    m-xylene 106.77
    p-xylene 169.61
    chlorobenzene 262.21
    dimethyl carbonate 298.5
    n-octane 31.3
    formamide 460.12
    cyclopentanone 712.85
    2-pentanone 349.78
    anisole 306.53
    cyclopentyl methyl ether 388.08
    gamma-butyrolactone 866.54
    1-methoxy-2-propanol 450.45
    pyridine 524.71
    3-pentanone 285.45
    furfural 626.91
    n-dodecane 26.99
    diethylene glycol 462.95
    diisopropyl ether 122.26
    tert-amyl alcohol 224.17
    acetylacetone 420.62
    n-hexadecane 31.02
    acetophenone 243.41
    methyl propionate 390.9
    isopentyl acetate 193.39
    trichloroethylene 1161.64
    n-nonanol 127.72
    cyclohexanol 217.62
    benzyl alcohol 217.1
    2-ethylhexanol 116.82
    isooctanol 103.43
    dipropyl ether 195.5
    1,2-dichlorobenzene 243.27
    ethyl lactate 185.42
    propylene carbonate 390.95
    n-methylformamide 568.01
    2-pentanol 172.56
    n-pentane 45.67
    1-propoxy-2-propanol 245.2
    1-methoxy-2-propyl acetate 222.84
    2-(2-methoxypropoxy) propanol 223.64
    mesitylene 80.92
    ε-caprolactone 420.75
    p-cymene 71.89
    epichlorohydrin 1103.02
    1,1,1-trichloroethane 526.7
    2-aminoethanol 273.75
    morpholine-4-carbaldehyde 626.74
    sulfolane 846.77
    2,2,4-trimethylpentane 26.3
    2-methyltetrahydrofuran 604.16
    n-hexyl acetate 263.64
    isooctane 24.57
    2-(2-butoxyethoxy)ethanol 313.58
    sec-butyl acetate 200.63
    tert-butyl acetate 236.16
    decalin 42.51
    glycerin 284.29
    diglyme 638.22
    acrylic acid 335.85
    isopropyl myristate 115.97
    n-butyric acid 316.76
    acetyl acetate 257.25
    di(2-ethylhexyl) phthalate 92.24
    ethyl propionate 290.07
    nitromethane 1038.3
    1,2-diethoxyethane 339.41
    benzonitrile 264.71
    trioctyl phosphate 81.99
    1-bromopropane 347.57
    gamma-valerolactone 738.01
    n-decanol 99.69
    triethyl phosphate 111.5
    4-methyl-2-pentanol 107.58
    propionitrile 400.83
    vinylene carbonate 397.46
    1,1,2-trichlorotrifluoroethane 503.74
    DMS 292.55
    cumene 92.83
    2-octanol 103.68
    2-hexanone 300.93
    octyl acetate 141.15
    limonene 89.32
    1,2-dimethoxyethane 813.03
    ethyl orthosilicate 102.2
    tributyl phosphate 101.51
    diacetone alcohol 253.75
    N,N-dimethylaniline 177.81
    acrylonitrile 540.54
    aniline 196.64
    1,3-propanediol 361.59
    bromobenzene 272.8
    dibromomethane 717.4
    1,1,2,2-tetrachloroethane 752.19
    2-methyl-cyclohexyl acetate 148.25
    tetrabutyl urea 121.76
    diisobutyl methanol 86.76
    2-phenylethanol 172.74
    styrene 151.64
    dioctyl adipate 151.03
    dimethyl sulfate 382.03
    ethyl butyrate 205.09
    methyl lactate 211.71
    butyl lactate 142.1
    diethyl carbonate 162.25
    propanediol butyl ether 224.83
    triethyl orthoformate 144.97
    p-tert-butyltoluene 69.03
    methyl 4-tert-butylbenzoate 189.19
    morpholine 892.94
    tert-butylamine 176.1
    n-dodecanol 81.59
    dimethoxymethane 713.27
    ethylene carbonate 350.22
    cyrene 220.77
    2-ethoxyethyl acetate 269.12
    2-ethylhexyl acetate 155.91
    1,2,4-trichlorobenzene 270.09
    4-methylpyridine 379.87
    dibutyl ether 201.85
    2,6-dimethyl-4-heptanol 86.76
    DEF 355.35
    dimethyl isosorbide 342.03
    tetrachloroethylene 580.38
    eugenol 220.03
    triacetin 247.28
    span 80 162.56
    1,4-butanediol 206.26
    1,1-dichloroethane 580.49
    2-methyl-1-pentanol 162.82
    methyl formate 570.83
    2-methyl-1-butanol 186.62
    n-decane 42.3
    butyronitrile 317.05
    3,7-dimethyl-1-octanol 120.67
    1-chlorooctane 129.36
    1-chlorotetradecane 58.17
    n-nonane 43.17
    undecane 33.44
    tert-butylcyclohexane 41.26
    cyclooctane 31.87
    cyclopentanol 295.45
    tetrahydropyran 656.78
    tert-amyl methyl ether 176.86
    2,5,8-trioxanonane 389.67
    1-hexene 141.32
    2-isopropoxyethanol 351.54
    2,2,2-trifluoroethanol 229.64
    methyl butyrate 369.93

    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
Cypress (Croatia) 1 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.21%