2,4-Dimethyl-1H-indole

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  • Identifiers

    CAS number
    10299-61-3

    Molecular formula
    C10H11N

    SMILES
    CC1=C2C=C(NC2=CC=C1)C

    Safety labels

  • Odor profile

    Fragrance
    Animal 60.38%
    Leathery 40.81%
    Floral 38.75%
    Phenolic 33.21%
    Burnt 32.58%
    Fruity 32.19%
    Musty 31.92%
    Woody 30.95%
    Earthy 30.51%
    Tobacco 29.45%

     

    Flavor
    Bitter 30.78%
    Fecal 28.51%
    Phenolic 28.09%
    Animal 27.36%
    Medicinal 26.98%
    Very strong 25.2%
    Indole 24.8%
    Flat 23.69%
    Leather 22.93%
    Coffee 22.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.4 (neutral)

    Molecular weight
    145.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 125.86 ˚C est.

  • Synonyms

    • 2,4-dimethyl-1H-indole
    • 2,4-dimethylindole
    • DTXSID70451166
    • RefChem:82493
    • DTXCID90401986
    • YBUMNVFXMLIKDZ-UHFFFAOYSA-N
    • 10299-61-3
    • MFCD09701270
    • 2,4 dimethyl indole
    • SCHEMBL2931891
    • SCHEMBL6206899
    • SCHEMBL8230643
    • SCHEMBL10576531
    • SCHEMBL28144663
    • SCHEMBL29713806
    • CHEBI:169202
    • AKOS006331463
    • SB30276
    • DB-058900
    • CS-0342291
    • C14038
    • 10299-61-3

  • Applications

    2,4-Dimethyl-1H-indole (CAS number: 10299-61-3) is primarily used as an organic synthesis intermediate and may serve as a fragrance ingredient or odorant in perfumery, as a building block for indole-based derivatives used in pharmaceuticals and agrochemicals. In cosmetics/personal care, it may be used as a fragrance ingredient contributing to scent profiles in perfumes and personal-care products. In industrial manufacturing, it can provide a useful scaffold for synthesizing other indole derivatives and as a precursor to various chemicals. In pharmaceuticals, it can serve as a starting point for the synthesis of indole-based compounds, depending on the design; it may also be evaluated for use in coatings, inks, or adhesives where indole structures are desirable. Applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 178.41
    methanol 190.73
    isopropanol 143.99
    water 0.81
    ethyl acetate 199.72
    n-propanol 178.16
    acetone 367.38
    n-butanol 163.3
    acetonitrile 140.94
    DMF 368.93
    toluene 41.91
    isobutanol 138.58
    1,4-dioxane 486.99
    methyl acetate 241.25
    THF 890.7
    2-butanone 275.16
    n-pentanol 156.72
    sec-butanol 147.62
    n-hexane 48.77
    ethylene glycol 49.06
    NMP 274.47
    cyclohexane 15.26
    DMSO 319.7
    n-butyl acetate 185.52
    n-octanol 127.32
    chloroform 198.32
    n-propyl acetate 154.15
    acetic acid 82.49
    dichloromethane 190.07
    cyclohexanone 257.18
    propylene glycol 66.4
    isopropyl acetate 123.7
    DMAc 265.65
    2-ethoxyethanol 202.45
    isopentanol 138.42
    n-heptane 30.81
    ethyl formate 98.85
    1,2-dichloroethane 136.94
    n-hexanol 231.22
    2-methoxyethanol 267.81
    isobutyl acetate 138.34
    tetrachloromethane 43.37
    n-pentyl acetate 142.58
    transcutol 345.76
    n-heptanol 113.06
    ethylbenzene 48.31
    MIBK 146.29
    2-propoxyethanol 353.39
    tert-butanol 156.36
    MTBE 208.02
    2-butoxyethanol 175.74
    propionic acid 104.12
    o-xylene 35.7
    formic acid 27.28
    diethyl ether 248.59
    m-xylene 43.47
    p-xylene 69.51
    chlorobenzene 68.59
    dimethyl carbonate 112.35
    n-octane 21.75
    formamide 43.48
    cyclopentanone 458.31
    2-pentanone 222.61
    anisole 134.9
    cyclopentyl methyl ether 291.79
    gamma-butyrolactone 409.13
    1-methoxy-2-propanol 250.09
    pyridine 151.56
    3-pentanone 177.3
    furfural 182.11
    n-dodecane 18.71
    diethylene glycol 220.32
    diisopropyl ether 81.41
    tert-amyl alcohol 148.31
    acetylacetone 201.31
    n-hexadecane 20.55
    acetophenone 98.14
    methyl propionate 200.11
    isopentyl acetate 165.72
    trichloroethylene 201.13
    n-nonanol 108.73
    cyclohexanol 107.61
    benzyl alcohol 84.26
    2-ethylhexanol 124.41
    isooctanol 92.82
    dipropyl ether 173.12
    1,2-dichlorobenzene 63.73
    ethyl lactate 78.42
    propylene carbonate 169.71
    n-methylformamide 138.8
    2-pentanol 125.06
    n-pentane 23.51
    1-propoxy-2-propanol 211.82
    1-methoxy-2-propyl acetate 164.98
    2-(2-methoxypropoxy) propanol 138.63
    mesitylene 32.32
    ε-caprolactone 206.95
    p-cymene 39.86
    epichlorohydrin 383.15
    1,1,1-trichloroethane 130.64
    2-aminoethanol 85.07
    morpholine-4-carbaldehyde 290.38
    sulfolane 351.56
    2,2,4-trimethylpentane 19.76
    2-methyltetrahydrofuran 450.53
    n-hexyl acetate 205.87
    isooctane 17.13
    2-(2-butoxyethoxy)ethanol 196.24
    sec-butyl acetate 108.31
    tert-butyl acetate 133.15
    decalin 21.78
    glycerin 91.88
    diglyme 294.0
    acrylic acid 73.06
    isopropyl myristate 84.29
    n-butyric acid 131.16
    acetyl acetate 90.37
    di(2-ethylhexyl) phthalate 69.16
    ethyl propionate 136.9
    nitromethane 200.71
    1,2-diethoxyethane 218.44
    benzonitrile 77.8
    trioctyl phosphate 61.37
    1-bromopropane 117.62
    gamma-valerolactone 375.14
    n-decanol 88.18
    triethyl phosphate 59.97
    4-methyl-2-pentanol 89.68
    propionitrile 128.32
    vinylene carbonate 119.76
    1,1,2-trichlorotrifluoroethane 135.66
    DMS 150.79
    cumene 48.12
    2-octanol 96.92
    2-hexanone 194.39
    octyl acetate 105.47
    limonene 60.95
    1,2-dimethoxyethane 378.45
    ethyl orthosilicate 60.87
    tributyl phosphate 72.67
    diacetone alcohol 145.35
    N,N-dimethylaniline 93.8
    acrylonitrile 124.14
    aniline 68.78
    1,3-propanediol 123.38
    bromobenzene 63.74
    dibromomethane 131.87
    1,1,2,2-tetrachloroethane 160.82
    2-methyl-cyclohexyl acetate 98.5
    tetrabutyl urea 92.76
    diisobutyl methanol 68.71
    2-phenylethanol 111.36
    styrene 49.71
    dioctyl adipate 89.03
    dimethyl sulfate 149.45
    ethyl butyrate 115.04
    methyl lactate 93.61
    butyl lactate 101.68
    diethyl carbonate 76.1
    propanediol butyl ether 155.22
    triethyl orthoformate 83.86
    p-tert-butyltoluene 41.97
    methyl 4-tert-butylbenzoate 105.34
    morpholine 396.54
    tert-butylamine 107.75
    n-dodecanol 72.49
    dimethoxymethane 355.06
    ethylene carbonate 120.73
    cyrene 126.7
    2-ethoxyethyl acetate 170.84
    2-ethylhexyl acetate 137.95
    1,2,4-trichlorobenzene 79.64
    4-methylpyridine 142.6
    dibutyl ether 160.61
    2,6-dimethyl-4-heptanol 68.71
    DEF 185.26
    dimethyl isosorbide 208.33
    tetrachloroethylene 105.8
    eugenol 117.59
    triacetin 123.63
    span 80 126.26
    1,4-butanediol 77.94
    1,1-dichloroethane 148.96
    2-methyl-1-pentanol 135.44
    methyl formate 133.47
    2-methyl-1-butanol 141.56
    n-decane 29.89
    butyronitrile 125.08
    3,7-dimethyl-1-octanol 110.6
    1-chlorooctane 88.42
    1-chlorotetradecane 39.63
    n-nonane 30.9
    undecane 23.19
    tert-butylcyclohexane 28.31
    cyclooctane 9.25
    cyclopentanol 166.49
    tetrahydropyran 349.2
    tert-amyl methyl ether 160.58
    2,5,8-trioxanonane 201.15
    1-hexene 133.91
    2-isopropoxyethanol 170.19
    2,2,2-trifluoroethanol 42.34
    methyl butyrate 163.27

    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