2-Isopropyl-1H-indole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    17790-93-1

    Molecular formula
    C11H13N

    SMILES
    CC(C)C1=CC2=CC=CC=C2N1

  • Odor profile

    Fragrance
    Earthy 47.91%
    Fruity 47.19%
    Animal 44.38%
    Green 40.84%
    Burnt 34.87%
    Leathery 32.22%
    Roasted 29.24%
    Musty 27.54%
    Leafy 26.71%
    Nutty 26.08%

     

    Flavor
    Herbal 34.61%
    Bitter 34.57%
    Green 32.89%
    Musty 24.79%
    Earthy 24.26%
    Woody 23.8%
    Pepper 23.57%
    Green pepper 21.99%
    Syrup 21.71%
    Carrot 21.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.33 (neutral)

    Molecular weight
    159.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    274°C

    Flash point

    • 129.73 ˚C est.

  • Synonyms

    • 2-Isopropyl-1H-indole
    • 17790-93-1
    • 2-propan-2-yl-1H-indole
    • 2-(propan-2-yl)-1H-indole
    • EINECS 241-767-3
    • Isopropylindol
    • 2-isopropylindole
    • MFCD00956701
    • SCHEMBL336690
    • SCHEMBL2737274
    • DTXSID20170395
    • HS-5118
    • DA-26062
    • CS-0120645
    • NS00025866

  • Applications

    2-Isopropyl-1H-indole (CAS 17790-93-1) is primarily used as a synthetic building block and intermediate in organic synthesis, enabling the preparation of more complex indole-containing compounds for medicinal chemistry research. In perfumery and fragrances, it can be employed as a specialty odorant or fragrance ingredient, contributing to fragrance profiles through the indole core and the 2-isopropyl substitution. It is also explored as a precursor in agrochemical research for developing indole-based active ingredients. Additionally, it may serve in materials and coatings contexts as a starting point for the synthesis of dyes, pigments, or polymer additives derived from the indole framework. Use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 301.49
    methanol 170.66
    isopropanol 258.39
    water 0.22
    ethyl acetate 432.29
    n-propanol 264.72
    acetone 748.26
    n-butanol 256.73
    acetonitrile 272.39
    DMF 683.78
    toluene 118.74
    isobutanol 224.25
    1,4-dioxane 432.35
    methyl acetate 469.9
    THF 1043.2
    2-butanone 587.75
    n-pentanol 213.28
    sec-butanol 266.57
    n-hexane 69.88
    ethylene glycol 27.1
    NMP 281.97
    cyclohexane 43.99
    DMSO 304.02
    n-butyl acetate 515.47
    n-octanol 161.43
    chloroform 514.3
    n-propyl acetate 327.72
    acetic acid 138.14
    dichloromethane 549.41
    cyclohexanone 445.98
    propylene glycol 65.95
    isopropyl acetate 253.5
    DMAc 478.98
    2-ethoxyethanol 225.19
    isopentanol 226.93
    n-heptane 61.63
    ethyl formate 289.0
    1,2-dichloroethane 292.36
    n-hexanol 330.51
    2-methoxyethanol 276.79
    isobutyl acetate 257.59
    tetrachloromethane 78.14
    n-pentyl acetate 228.89
    transcutol 505.47
    n-heptanol 143.04
    ethylbenzene 119.74
    MIBK 245.16
    2-propoxyethanol 372.13
    tert-butanol 273.81
    MTBE 353.46
    2-butoxyethanol 190.48
    propionic acid 163.56
    o-xylene 77.54
    formic acid 20.92
    diethyl ether 374.04
    m-xylene 91.65
    p-xylene 165.9
    chlorobenzene 153.3
    dimethyl carbonate 163.08
    n-octane 32.51
    formamide 56.5
    cyclopentanone 667.85
    2-pentanone 471.48
    anisole 219.51
    cyclopentyl methyl ether 306.84
    gamma-butyrolactone 558.97
    1-methoxy-2-propanol 278.62
    pyridine 356.85
    3-pentanone 331.61
    furfural 309.48
    n-dodecane 26.65
    diethylene glycol 160.91
    diisopropyl ether 115.99
    tert-amyl alcohol 251.92
    acetylacetone 406.68
    n-hexadecane 29.22
    acetophenone 192.08
    methyl propionate 351.46
    isopentyl acetate 399.91
    trichloroethylene 492.36
    n-nonanol 136.07
    cyclohexanol 138.3
    benzyl alcohol 136.19
    2-ethylhexanol 209.38
    isooctanol 115.81
    dipropyl ether 314.03
    1,2-dichlorobenzene 118.61
    ethyl lactate 112.36
    propylene carbonate 329.7
    n-methylformamide 205.69
    2-pentanol 200.61
    n-pentane 47.89
    1-propoxy-2-propanol 308.29
    1-methoxy-2-propyl acetate 314.35
    2-(2-methoxypropoxy) propanol 194.5
    mesitylene 60.01
    ε-caprolactone 336.66
    p-cymene 90.81
    epichlorohydrin 498.27
    1,1,1-trichloroethane 250.1
    2-aminoethanol 77.07
    morpholine-4-carbaldehyde 331.58
    sulfolane 349.84
    2,2,4-trimethylpentane 27.61
    2-methyltetrahydrofuran 526.22
    n-hexyl acetate 319.5
    isooctane 22.23
    2-(2-butoxyethoxy)ethanol 242.21
    sec-butyl acetate 218.57
    tert-butyl acetate 224.71
    decalin 33.26
    glycerin 57.78
    diglyme 367.93
    acrylic acid 103.03
    isopropyl myristate 142.14
    n-butyric acid 257.75
    acetyl acetate 202.67
    di(2-ethylhexyl) phthalate 105.81
    ethyl propionate 265.65
    nitromethane 312.17
    1,2-diethoxyethane 398.48
    benzonitrile 167.61
    trioctyl phosphate 83.27
    1-bromopropane 272.58
    gamma-valerolactone 507.11
    n-decanol 113.75
    triethyl phosphate 102.9
    4-methyl-2-pentanol 122.94
    propionitrile 260.28
    vinylene carbonate 253.28
    1,1,2-trichlorotrifluoroethane 159.99
    DMS 209.66
    cumene 91.41
    2-octanol 114.34
    2-hexanone 350.58
    octyl acetate 173.67
    limonene 119.52
    1,2-dimethoxyethane 530.47
    ethyl orthosilicate 104.23
    tributyl phosphate 109.45
    diacetone alcohol 196.62
    N,N-dimethylaniline 145.8
    acrylonitrile 253.53
    aniline 116.6
    1,3-propanediol 129.31
    bromobenzene 164.4
    dibromomethane 377.64
    1,1,2,2-tetrachloroethane 299.39
    2-methyl-cyclohexyl acetate 191.9
    tetrabutyl urea 141.68
    diisobutyl methanol 111.97
    2-phenylethanol 184.21
    styrene 137.7
    dioctyl adipate 172.21
    dimethyl sulfate 155.43
    ethyl butyrate 315.09
    methyl lactate 109.08
    butyl lactate 146.37
    diethyl carbonate 200.08
    propanediol butyl ether 156.18
    triethyl orthoformate 175.55
    p-tert-butyltoluene 85.51
    methyl 4-tert-butylbenzoate 157.58
    morpholine 417.16
    tert-butylamine 196.37
    n-dodecanol 97.11
    dimethoxymethane 468.3
    ethylene carbonate 217.62
    cyrene 145.73
    2-ethoxyethyl acetate 271.04
    2-ethylhexyl acetate 301.77
    1,2,4-trichlorobenzene 126.31
    4-methylpyridine 320.87
    dibutyl ether 263.7
    2,6-dimethyl-4-heptanol 111.97
    DEF 352.31
    dimethyl isosorbide 291.17
    tetrachloroethylene 197.38
    eugenol 149.16
    triacetin 204.28
    span 80 165.41
    1,4-butanediol 71.97
    1,1-dichloroethane 337.6
    2-methyl-1-pentanol 193.76
    methyl formate 203.82
    2-methyl-1-butanol 223.93
    n-decane 41.62
    butyronitrile 319.46
    3,7-dimethyl-1-octanol 151.11
    1-chlorooctane 120.3
    1-chlorotetradecane 55.44
    n-nonane 41.27
    undecane 32.18
    tert-butylcyclohexane 37.1
    cyclooctane 18.24
    cyclopentanol 185.55
    tetrahydropyran 455.02
    tert-amyl methyl ether 242.4
    2,5,8-trioxanonane 273.18
    1-hexene 265.16
    2-isopropoxyethanol 193.31
    2,2,2-trifluoroethanol 48.86
    methyl butyrate 368.71

    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