3-ethyl-1H-indole

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  • Identifiers

    CAS number
    1484-19-1

    Molecular formula
    C10H11N

    SMILES
    CCC1=CNC2=CC=CC=C21

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Animal 59.01%
    Leathery 40.41%
    Burnt 39.29%
    Earthy 38.44%
    Musty 36.08%
    Roasted 34.91%
    Phenolic 34.57%
    Fruity 32.89%
    Tobacco 30.53%
    Floral 29.99%

     

    Flavor
    Earthy 35.61%
    Musty 33.88%
    Nutty 31.45%
    Floral 30.47%
    Animal 27.92%
    Roasted 27.74%
    Herbal 27.54%
    Tobacco 27.29%
    Fecal 26.66%
    Woody 26.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.11 (neutral)

    Molecular weight
    145.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point

    • 132.47 ˚C est.

  • Synonyms

    • 3-ethyl-1H-indole
    • 1484-19-1
    • 1H-Indole, 3-ethyl-
    • 3-ethylindole
    • 3-ethyl-indole
    • DTXSID00314851
    • indole, 3-ethyl-
    • MFCD01881367
    • NSC289350
    • SCHEMBL90504
    • SCHEMBL747112
    • DTXCID40265974
    • BAA48419
    • AKOS006277415
    • BS-3818
    • NSC-289350
    • CS-0234454
    • E77197
    • EN300-142094
    • Z1198159100
    • 846-092-3

  • Applications

    3-ethyl-1H-indole (CAS 1484-19-1) is used primarily as a fragrance ingredient and fragrance intermediate in perfumery, providing a basis for complex aroma molecules; in cosmetics and personal care, it may be employed as a fragrance component or synthetic intermediate in formulations; in pharmaceutical research, it serves as a versatile indole scaffold and is often used as an intermediate for heterocyclic compounds; in agriculture, it is evaluated as an intermediate for the synthesis of agricultural chemicals; in the plastics, polymer, and coatings industries, it is used as a building block for indole-containing monomers and additives for coatings; in the printing and inks sector, as well as related coating applications, it may serve as a precursor for indole-based dyes or fluorescent components.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 517.04
    methanol 517.67
    isopropanol 329.55
    water 0.81
    ethyl acetate 485.19
    n-propanol 368.52
    acetone 934.28
    n-butanol 352.49
    acetonitrile 505.82
    DMF 960.54
    toluene 167.44
    isobutanol 273.82
    1,4-dioxane 742.72
    methyl acetate 477.92
    THF 1241.32
    2-butanone 506.0
    n-pentanol 274.35
    sec-butanol 259.97
    n-hexane 93.72
    ethylene glycol 63.12
    NMP 387.95
    cyclohexane 82.38
    DMSO 642.43
    n-butyl acetate 555.24
    n-octanol 191.45
    chloroform 805.71
    n-propyl acetate 345.57
    acetic acid 237.99
    dichloromethane 1058.9
    cyclohexanone 537.51
    propylene glycol 72.52
    isopropyl acetate 244.85
    DMAc 380.88
    2-ethoxyethanol 309.0
    isopentanol 264.28
    n-heptane 92.17
    ethyl formate 399.1
    1,2-dichloroethane 608.39
    n-hexanol 369.3
    2-methoxyethanol 447.15
    isobutyl acetate 258.29
    tetrachloromethane 194.93
    n-pentyl acetate 286.55
    transcutol 682.4
    n-heptanol 175.93
    ethylbenzene 127.49
    MIBK 250.52
    2-propoxyethanol 429.09
    tert-butanol 307.62
    MTBE 339.85
    2-butoxyethanol 233.0
    propionic acid 204.18
    o-xylene 98.42
    formic acid 59.33
    diethyl ether 580.66
    m-xylene 120.77
    p-xylene 157.42
    chlorobenzene 238.25
    dimethyl carbonate 203.95
    n-octane 49.4
    formamide 152.02
    cyclopentanone 763.52
    2-pentanone 481.21
    anisole 229.22
    cyclopentyl methyl ether 420.8
    gamma-butyrolactone 717.56
    1-methoxy-2-propanol 321.7
    pyridine 512.91
    3-pentanone 341.64
    furfural 391.45
    n-dodecane 36.88
    diethylene glycol 225.75
    diisopropyl ether 141.33
    tert-amyl alcohol 222.34
    acetylacetone 387.51
    n-hexadecane 41.02
    acetophenone 191.88
    methyl propionate 385.86
    isopentyl acetate 389.35
    trichloroethylene 727.34
    n-nonanol 165.36
    cyclohexanol 184.69
    benzyl alcohol 148.89
    2-ethylhexanol 214.34
    isooctanol 137.18
    dipropyl ether 403.34
    1,2-dichlorobenzene 189.85
    ethyl lactate 111.86
    propylene carbonate 375.21
    n-methylformamide 441.61
    2-pentanol 218.49
    n-pentane 80.33
    1-propoxy-2-propanol 297.89
    1-methoxy-2-propyl acetate 295.36
    2-(2-methoxypropoxy) propanol 187.42
    mesitylene 82.66
    ε-caprolactone 370.77
    p-cymene 100.49
    epichlorohydrin 709.03
    1,1,1-trichloroethane 419.1
    2-aminoethanol 122.72
    morpholine-4-carbaldehyde 401.78
    sulfolane 502.67
    2,2,4-trimethylpentane 32.23
    2-methyltetrahydrofuran 646.24
    n-hexyl acetate 351.35
    isooctane 31.47
    2-(2-butoxyethoxy)ethanol 271.45
    sec-butyl acetate 193.11
    tert-butyl acetate 223.97
    decalin 46.7
    glycerin 81.9
    diglyme 494.1
    acrylic acid 147.74
    isopropyl myristate 140.66
    n-butyric acid 301.05
    acetyl acetate 210.02
    di(2-ethylhexyl) phthalate 103.79
    ethyl propionate 273.17
    nitromethane 539.13
    1,2-diethoxyethane 549.43
    benzonitrile 210.68
    trioctyl phosphate 93.84
    1-bromopropane 433.04
    gamma-valerolactone 587.71
    n-decanol 133.63
    triethyl phosphate 103.06
    4-methyl-2-pentanol 129.16
    propionitrile 421.44
    vinylene carbonate 329.96
    1,1,2-trichlorotrifluoroethane 202.83
    DMS 232.27
    cumene 98.37
    2-octanol 140.57
    2-hexanone 324.3
    octyl acetate 172.84
    limonene 136.44
    1,2-dimethoxyethane 686.44
    ethyl orthosilicate 102.9
    tributyl phosphate 111.95
    diacetone alcohol 196.46
    N,N-dimethylaniline 153.01
    acrylonitrile 420.81
    aniline 157.5
    1,3-propanediol 201.4
    bromobenzene 261.44
    dibromomethane 693.47
    1,1,2,2-tetrachloroethane 457.93
    2-methyl-cyclohexyl acetate 176.06
    tetrabutyl urea 153.78
    diisobutyl methanol 117.65
    2-phenylethanol 188.0
    styrene 158.19
    dioctyl adipate 156.55
    dimethyl sulfate 205.73
    ethyl butyrate 310.67
    methyl lactate 115.48
    butyl lactate 146.45
    diethyl carbonate 195.49
    propanediol butyl ether 169.99
    triethyl orthoformate 175.66
    p-tert-butyltoluene 93.33
    methyl 4-tert-butylbenzoate 163.51
    morpholine 634.48
    tert-butylamine 232.97
    n-dodecanol 109.88
    dimethoxymethane 700.83
    ethylene carbonate 303.45
    cyrene 148.6
    2-ethoxyethyl acetate 323.1
    2-ethylhexyl acetate 307.86
    1,2,4-trichlorobenzene 172.98
    4-methylpyridine 404.7
    dibutyl ether 337.18
    2,6-dimethyl-4-heptanol 117.65
    DEF 404.3
    dimethyl isosorbide 309.76
    tetrachloroethylene 375.4
    eugenol 172.44
    triacetin 205.15
    span 80 162.68
    1,4-butanediol 106.74
    1,1-dichloroethane 514.94
    2-methyl-1-pentanol 211.42
    methyl formate 387.4
    2-methyl-1-butanol 239.06
    n-decane 58.03
    butyronitrile 459.85
    3,7-dimethyl-1-octanol 150.8
    1-chlorooctane 169.0
    1-chlorotetradecane 70.95
    n-nonane 60.6
    undecane 44.69
    tert-butylcyclohexane 47.96
    cyclooctane 34.18
    cyclopentanol 247.08
    tetrahydropyran 658.63
    tert-amyl methyl ether 206.92
    2,5,8-trioxanonane 319.6
    1-hexene 291.07
    2-isopropoxyethanol 226.04
    2,2,2-trifluoroethanol 85.63
    methyl butyrate 361.66

    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