3-Methyl-1-benzofuran-5-ol

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  • Identifiers

    CAS number
    7182-21-0

    Molecular formula
    C9H8O2

    SMILES
    CC1=COC2=C1C=C(C=C2)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 76.34%
    Sweet 54.33%
    Smoky 49.2%
    Burnt 47.12%
    Medicinal 46.25%
    Meaty 38.07%
    Roasted 36.08%
    Leathery 33.95%
    Woody 33.6%
    Spicy 33.45%

     

    Flavor
    Bitter 70.56%
    Phenolic 37.12%
    Smoke 29.3%
    Medicinal 26.82%
    Medical 25.63%
    Coffee 25.01%
    Musty 24.44%
    Flat 24.31%
    Very strong 23.73%
    Leather 23.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.39 (weak base)

    Molecular weight
    148.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    280°C

    Flash point

    • 123.43 ˚C est.

  • Synonyms

    • 3-METHYL-5-BENZOFURANOL
    • 3-METHYL-1-BENZOFURAN-5-OL
    • DTXSID70543318
    • RefChem:503480
    • DTXCID60494103
    • 807-272-7
    • 7182-21-0
    • 3-Methylbenzofuran-5-ol
    • 5-Benzofuranol,3-methyl-
    • 5-Hydroxy-3-methylbenzofuran
    • 3-methyl-benzofuran-5-ol
    • SCHEMBL2269586
    • AKOS022634312
    • AC-30397
    • DB-050040
    • CS-0255163
    • 7182-21-0

  • Applications

    3-Methyl-1-benzofuran-5-ol (CAS 7182-21-0) is primarily encountered in the fragrance field as an aroma compound and fragrance intermediate, contributing benzofuran-based notes and serving as a building block for further scent formulations. It may be used as a fragrance ingredient in cosmetics and personal care products, and as an aroma or flavor precursor in appropriate applications with regulatory compliance. In industrial manufacturing, it functions as a chemical building block for the synthesis of more complex benzofuran derivatives used in specialty chemicals. It can also be employed as a precursor in polymer or coating development to introduce benzofuran motifs in materials. Usage levels and admissibility are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 216.96
    methanol 276.79
    isopropanol 173.21
    water 2.53
    ethyl acetate 127.3
    n-propanol 177.27
    acetone 203.03
    n-butanol 142.77
    acetonitrile 94.4
    DMF 323.12
    toluene 13.42
    isobutanol 131.45
    1,4-dioxane 294.01
    methyl acetate 165.83
    THF 395.76
    2-butanone 168.84
    n-pentanol 116.97
    sec-butanol 153.09
    n-hexane 4.24
    ethylene glycol 119.58
    NMP 77.4
    cyclohexane 1.52
    DMSO 242.81
    n-butyl acetate 77.61
    n-octanol 80.12
    chloroform 95.43
    n-propyl acetate 98.01
    acetic acid 73.39
    dichloromethane 104.22
    cyclohexanone 87.02
    propylene glycol 99.02
    isopropyl acetate 72.97
    DMAc 220.01
    2-ethoxyethanol 332.85
    isopentanol 121.18
    n-heptane 5.58
    ethyl formate 89.04
    1,2-dichloroethane 82.36
    n-hexanol 121.21
    2-methoxyethanol 430.13
    isobutyl acetate 68.4
    tetrachloromethane 19.36
    n-pentyl acetate 65.96
    transcutol 325.28
    n-heptanol 72.93
    ethylbenzene 24.15
    MIBK 86.87
    2-propoxyethanol 302.22
    tert-butanol 201.25
    MTBE 137.89
    2-butoxyethanol 155.38
    propionic acid 74.97
    o-xylene 17.71
    formic acid 55.95
    diethyl ether 118.58
    m-xylene 18.37
    p-xylene 31.89
    chlorobenzene 27.55
    dimethyl carbonate 76.87
    n-octane 5.72
    formamide 113.75
    cyclopentanone 147.7
    2-pentanone 125.24
    anisole 103.15
    cyclopentyl methyl ether 96.83
    gamma-butyrolactone 150.14
    1-methoxy-2-propanol 299.41
    pyridine 73.15
    3-pentanone 76.59
    furfural 113.65
    n-dodecane 6.78
    diethylene glycol 303.93
    diisopropyl ether 32.76
    tert-amyl alcohol 163.67
    acetylacetone 133.95
    n-hexadecane 7.38
    acetophenone 70.69
    methyl propionate 118.15
    isopentyl acetate 75.07
    trichloroethylene 118.26
    n-nonanol 69.64
    cyclohexanol 56.46
    benzyl alcohol 75.53
    2-ethylhexanol 60.46
    isooctanol 61.33
    dipropyl ether 62.02
    1,2-dichlorobenzene 34.26
    ethyl lactate 66.11
    propylene carbonate 69.28
    n-methylformamide 159.62
    2-pentanol 96.93
    n-pentane 2.84
    1-propoxy-2-propanol 157.92
    1-methoxy-2-propyl acetate 97.29
    2-(2-methoxypropoxy) propanol 120.62
    mesitylene 14.02
    ε-caprolactone 82.69
    p-cymene 22.27
    epichlorohydrin 235.03
    1,1,1-trichloroethane 60.74
    2-aminoethanol 165.51
    morpholine-4-carbaldehyde 201.28
    sulfolane 125.22
    2,2,4-trimethylpentane 4.94
    2-methyltetrahydrofuran 171.15
    n-hexyl acetate 94.21
    isooctane 4.93
    2-(2-butoxyethoxy)ethanol 177.29
    sec-butyl acetate 63.61
    tert-butyl acetate 85.45
    decalin 4.83
    glycerin 145.29
    diglyme 280.4
    acrylic acid 58.24
    isopropyl myristate 43.95
    n-butyric acid 87.65
    acetyl acetate 52.67
    di(2-ethylhexyl) phthalate 38.39
    ethyl propionate 83.38
    nitromethane 181.45
    1,2-diethoxyethane 123.95
    benzonitrile 53.07
    trioctyl phosphate 33.72
    1-bromopropane 45.97
    gamma-valerolactone 179.92
    n-decanol 56.72
    triethyl phosphate 36.39
    4-methyl-2-pentanol 67.01
    propionitrile 89.87
    vinylene carbonate 62.96
    1,1,2-trichlorotrifluoroethane 120.46
    DMS 70.62
    cumene 24.65
    2-octanol 60.72
    2-hexanone 101.39
    octyl acetate 55.77
    limonene 25.17
    1,2-dimethoxyethane 352.3
    ethyl orthosilicate 36.97
    tributyl phosphate 35.73
    diacetone alcohol 135.26
    N,N-dimethylaniline 65.16
    acrylonitrile 100.56
    aniline 37.29
    1,3-propanediol 217.07
    bromobenzene 23.87
    dibromomethane 52.64
    1,1,2,2-tetrachloroethane 96.99
    2-methyl-cyclohexyl acetate 50.39
    tetrabutyl urea 47.42
    diisobutyl methanol 41.09
    2-phenylethanol 87.22
    styrene 23.55
    dioctyl adipate 50.31
    dimethyl sulfate 97.28
    ethyl butyrate 57.85
    methyl lactate 83.39
    butyl lactate 57.57
    diethyl carbonate 41.4
    propanediol butyl ether 119.5
    triethyl orthoformate 44.72
    p-tert-butyltoluene 23.6
    methyl 4-tert-butylbenzoate 74.06
    morpholine 257.31
    tert-butylamine 101.24
    n-dodecanol 44.77
    dimethoxymethane 292.94
    ethylene carbonate 55.76
    cyrene 96.67
    2-ethoxyethyl acetate 98.71
    2-ethylhexyl acetate 54.97
    1,2,4-trichlorobenzene 37.64
    4-methylpyridine 68.13
    dibutyl ether 64.28
    2,6-dimethyl-4-heptanol 41.09
    DEF 108.76
    dimethyl isosorbide 149.21
    tetrachloroethylene 65.78
    eugenol 101.25
    triacetin 68.62
    span 80 80.45
    1,4-butanediol 115.28
    1,1-dichloroethane 75.83
    2-methyl-1-pentanol 94.94
    methyl formate 137.64
    2-methyl-1-butanol 113.38
    n-decane 9.88
    butyronitrile 83.44
    3,7-dimethyl-1-octanol 69.65
    1-chlorooctane 37.54
    1-chlorotetradecane 18.02
    n-nonane 8.85
    undecane 8.02
    tert-butylcyclohexane 7.34
    cyclooctane 1.25
    cyclopentanol 81.17
    tetrahydropyran 132.45
    tert-amyl methyl ether 95.88
    2,5,8-trioxanonane 194.98
    1-hexene 23.55
    2-isopropoxyethanol 220.47
    2,2,2-trifluoroethanol 48.44
    methyl butyrate 102.79

    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