4-Methoxy-1H-indole

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  • Identifiers

    CAS number
    4837-90-5

    Molecular formula
    C9H9NO

    SMILES
    COC1=CC=CC2=C1C=CN2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 57.9%
    Floral 50.27%
    Animal 46.9%
    Phenolic 42.7%
    Fruity 38.54%
    Powdery 33.42%
    Earthy 32.17%
    Aromatic 31.75%
    Anisic 30.28%
    Musty 30.23%

     

    Flavor
    Bitter 68.41%
    Sweet 29.6%
    Floral 28.45%
    Musty 25.36%
    Animal 25.3%
    Very strong 23.99%
    Balsam 23.77%
    Indole 23.73%
    Tobacco 23.46%
    Moth ball 23.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.79 (neutral)

    Molecular weight
    147.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point

    • 140.71 ˚C est.

  • Synonyms

    • 4-Methoxyindole
    • 4-Methoxy-1H-indole
    • LUNOXNMCFPFPMO-UHFFFAOYSA-
    • DTXSID00197500
    • 1HIndole, 4methoxy
    • RefChem:524489
    • DTXCID70119991
    • 622-799-0
    • InChI=1/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
    • 4837-90-5
    • 1H-Indole, 4-methoxy-
    • MFCD00009737
    • 1H-Indol-4-yl methyl ether
    • Indole, 4-methoxy-
    • 4-methoxy-indole
    • VVP
    • 4-Methoxyindole, 99%
    • BIDD:GT0568
    • SCHEMBL321761
    • orb3029399
    • SCHEMBL1091118
    • SCHEMBL1539240
    • SCHEMBL1539241
    • SCHEMBL2306923
    • SCHEMBL2307032
    • SCHEMBL4476739
    • SCHEMBL7366411
    • 1H-Indol-4-yl methyl ether #
    • CHEMBL2018155
    • SCHEMBL29445066
    • HMS1632E13
    • BB_NC-02162
    • BBL010878
    • SBB055969
    • STK648729
    • AKOS001476143
    • CS-W008893
    • FM03091
    • PB19861
    • PS-5179
    • AC-23013
    • BP-10185
    • HY-59301
    • SY001984
    • DB-006865
    • M1250
    • ST50824091
    • EN300-96752
    • 837M905
    • A827524
    • F040146
    • A1-00007
    • 4-Methoxy-indole; 4-Methoxy-1H-indole; 4-Methoxyindole
    • Z1203730757
    • 4837-90-5

  • Applications

    4-Methoxy-1H-indole (CAS 4837-90-5) is commonly used as a synthetic intermediate and building block in organic synthesis, enabling the preparation of more complex indole-based pharmaceuticals and related compounds. In perfumery and cosmetics, it serves as an aroma precursor or odorant and can be incorporated into fragrance formulations and personal-care products. In research and development, it is employed as a starting material for the synthesis of functionalized indole derivatives and related heterocycles. In industrial manufacturing, it is used as a specialty intermediate for the production of advanced materials and intermediates. These applications are typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.54
    methanol 202.9
    isopropanol 114.17
    water 4.77
    ethyl acetate 97.88
    n-propanol 136.19
    acetone 189.95
    n-butanol 114.03
    acetonitrile 100.26
    DMF 294.91
    toluene 14.98
    isobutanol 102.09
    1,4-dioxane 283.67
    methyl acetate 108.9
    THF 376.28
    2-butanone 123.88
    n-pentanol 104.3
    sec-butanol 100.02
    n-hexane 9.65
    ethylene glycol 115.98
    NMP 164.18
    cyclohexane 4.32
    DMSO 383.21
    n-butyl acetate 58.4
    n-octanol 50.45
    chloroform 157.51
    n-propyl acetate 79.67
    acetic acid 122.02
    dichloromethane 170.61
    cyclohexanone 124.21
    propylene glycol 84.84
    isopropyl acetate 54.57
    DMAc 157.6
    2-ethoxyethanol 224.44
    isopentanol 93.14
    n-heptane 8.77
    ethyl formate 75.06
    1,2-dichloroethane 111.77
    n-hexanol 84.28
    2-methoxyethanol 305.16
    isobutyl acetate 60.28
    tetrachloromethane 34.33
    n-pentyl acetate 52.37
    transcutol 277.21
    n-heptanol 49.98
    ethylbenzene 18.6
    MIBK 70.08
    2-propoxyethanol 177.43
    tert-butanol 120.18
    MTBE 79.11
    2-butoxyethanol 104.19
    propionic acid 92.25
    o-xylene 17.49
    formic acid 84.33
    diethyl ether 99.2
    m-xylene 19.17
    p-xylene 27.9
    chlorobenzene 42.32
    dimethyl carbonate 68.23
    n-octane 6.12
    formamide 115.79
    cyclopentanone 211.34
    2-pentanone 101.51
    anisole 70.37
    cyclopentyl methyl ether 113.42
    gamma-butyrolactone 240.82
    1-methoxy-2-propanol 199.17
    pyridine 88.25
    3-pentanone 75.66
    furfural 156.88
    n-dodecane 5.84
    diethylene glycol 209.6
    diisopropyl ether 28.08
    tert-amyl alcohol 92.7
    acetylacetone 114.21
    n-hexadecane 6.43
    acetophenone 62.42
    methyl propionate 94.84
    isopentyl acetate 53.88
    trichloroethylene 172.77
    n-nonanol 44.94
    cyclohexanol 69.15
    benzyl alcohol 65.03
    2-ethylhexanol 47.01
    isooctanol 45.1
    dipropyl ether 56.04
    1,2-dichlorobenzene 44.48
    ethyl lactate 62.15
    propylene carbonate 99.88
    n-methylformamide 152.28
    2-pentanol 75.63
    n-pentane 6.8
    1-propoxy-2-propanol 102.29
    1-methoxy-2-propyl acetate 73.5
    2-(2-methoxypropoxy) propanol 90.75
    mesitylene 15.31
    ε-caprolactone 103.96
    p-cymene 18.67
    epichlorohydrin 266.9
    1,1,1-trichloroethane 85.84
    2-aminoethanol 132.53
    morpholine-4-carbaldehyde 196.25
    sulfolane 250.31
    2,2,4-trimethylpentane 6.48
    2-methyltetrahydrofuran 182.54
    n-hexyl acetate 72.29
    isooctane 5.56
    2-(2-butoxyethoxy)ethanol 122.95
    sec-butyl acetate 51.23
    tert-butyl acetate 61.47
    decalin 7.03
    glycerin 147.7
    diglyme 197.26
    acrylic acid 87.46
    isopropyl myristate 36.07
    n-butyric acid 96.56
    acetyl acetate 53.09
    di(2-ethylhexyl) phthalate 37.5
    ethyl propionate 71.23
    nitromethane 208.48
    1,2-diethoxyethane 90.98
    benzonitrile 54.03
    trioctyl phosphate 31.91
    1-bromopropane 63.4
    gamma-valerolactone 206.91
    n-decanol 37.1
    triethyl phosphate 35.89
    4-methyl-2-pentanol 48.62
    propionitrile 84.34
    vinylene carbonate 92.74
    1,1,2-trichlorotrifluoroethane 142.83
    DMS 67.31
    cumene 20.64
    2-octanol 39.06
    2-hexanone 85.93
    octyl acetate 45.34
    limonene 25.14
    1,2-dimethoxyethane 268.4
    ethyl orthosilicate 34.0
    tributyl phosphate 34.25
    diacetone alcohol 93.65
    N,N-dimethylaniline 49.04
    acrylonitrile 97.35
    aniline 45.34
    1,3-propanediol 165.48
    bromobenzene 35.51
    dibromomethane 98.4
    1,1,2,2-tetrachloroethane 131.32
    2-methyl-cyclohexyl acetate 47.12
    tetrabutyl urea 44.65
    diisobutyl methanol 32.12
    2-phenylethanol 60.45
    styrene 20.9
    dioctyl adipate 46.52
    dimethyl sulfate 107.34
    ethyl butyrate 49.91
    methyl lactate 78.03
    butyl lactate 50.27
    diethyl carbonate 40.08
    propanediol butyl ether 90.96
    triethyl orthoformate 40.61
    p-tert-butyltoluene 18.5
    methyl 4-tert-butylbenzoate 64.96
    morpholine 236.59
    tert-butylamine 69.29
    n-dodecanol 30.73
    dimethoxymethane 217.78
    ethylene carbonate 79.92
    cyrene 95.15
    2-ethoxyethyl acetate 76.92
    2-ethylhexyl acetate 43.04
    1,2,4-trichlorobenzene 51.63
    4-methylpyridine 73.21
    dibutyl ether 50.44
    2,6-dimethyl-4-heptanol 32.12
    DEF 103.64
    dimethyl isosorbide 118.69
    tetrachloroethylene 95.58
    eugenol 78.2
    triacetin 68.17
    span 80 70.38
    1,4-butanediol 103.02
    1,1-dichloroethane 95.8
    2-methyl-1-pentanol 83.96
    methyl formate 134.51
    2-methyl-1-butanol 90.91
    n-decane 8.6
    butyronitrile 78.0
    3,7-dimethyl-1-octanol 46.0
    1-chlorooctane 31.8
    1-chlorotetradecane 15.22
    n-nonane 8.12
    undecane 6.92
    tert-butylcyclohexane 8.78
    cyclooctane 2.66
    cyclopentanol 102.99
    tetrahydropyran 143.46
    tert-amyl methyl ether 62.16
    2,5,8-trioxanonane 142.52
    1-hexene 34.81
    2-isopropoxyethanol 145.29
    2,2,2-trifluoroethanol 71.19
    methyl butyrate 88.27

    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