2-Methylindole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    95-20-5

    Molecular formula
    C9H9N

    SMILES
    CC1=CC2=CC=CC=C2N1

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Animal 61.59%
    Floral 38.25%
    Burnt 37.32%
    Leathery 35.72%
    Fruity 35.61%
    Phenolic 33.12%
    Musty 32.69%
    Earthy 29.84%
    Roasted 28.96%
    Tobacco 27.12%

     

    Flavor
    Fecal 34.54%
    Animal 32.51%
    Bitter 28.66%
    Phenolic 27.68%
    Medicinal 27.63%
    Very strong 27.0%
    Indole 26.43%
    Plastic 25.53%
    Civet 25.21%
    Coffee 25.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.8 (neutral)

    Molecular weight
    131.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    269°C

    Flash point

    • 117.29 ˚C est.

  • Synonyms

    • 2-METHYLINDOLE
    • 2-Methyl-1H-indole
    • 95-20-5
    • 1H-Indole, 2-methyl-
    • Indole, 2-methyl-
    • NSC 7514
    • EINECS 202-398-3
    • MFCD00005616
    • UNII-I7CN58827I
    • CHEBI:49402
    • AI3-03945
    • I7CN58827I
    • NSC-7514
    • DTXSID5059117
    • 2-METHYL INDOLE
    • 2-methylindol
    • Methylketole
    • methyl indole
    • 2Methyl1Hindole
    • 2-methyl-indole
    • Indole, 2methyl
    • 1H-Indole, 2-methyl-; Indole, 2-methyl- (8CI); 2-Methyl-1H-indole; 2-Methylindole; NSC 7514
    • 1HIndole, 2methyl
    • 2-methyl-1h-indol
    • 2-methyl-1-H-indole
    • 2-Methylindole, 98%
    • Indole, 2methyl (8CI)
    • Indole, 2-methyl-(8CI)
    • SCHEMBL12420
    • a-Methylindole; NSC 7514
    • SCHEMBL377807
    • CHEMBL259419
    • F0290-0682
    • DTXCID8048947
    • NSC7514
    • KUC106612N
    • 2-Methylindole, analytical standard
    • KSC-09-215A
    • STR01200
    • AC-611
    • STK044221
    • AKOS000119568
    • CG-0500
    • CS-W007556
    • FM02013
    • HY-W007556
    • SB14955
    • NCGC00342152-01
    • DB-031753
    • 2-Methylindole, purum, >=97.5% (HPLC)
    • M0346
    • NS00010851
    • EN300-18136
    • AB00375786-04
    • Q4596907
    • 202-398-3
    • 2MI

  • Applications

    2-Methylindole (CAS 95-20-5) serves as a fragrance ingredient and odorant in perfumery and cosmetics, as a flavor/aroma component in flavor formulations, and as a building block in indole chemistry for pharmaceutical and agrochemical synthesis; it is also used as a precursor in the manufacture of indole-based dyes and pigments and in the industrial synthesis of more complex indole derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 228.33
    methanol 247.68
    isopropanol 159.94
    water 1.18
    ethyl acetate 176.74
    n-propanol 192.91
    acetone 366.63
    n-butanol 177.46
    acetonitrile 140.93
    DMF 379.49
    toluene 30.63
    isobutanol 144.43
    1,4-dioxane 405.5
    methyl acetate 208.33
    THF 716.6
    2-butanone 251.05
    n-pentanol 173.67
    sec-butanol 153.59
    n-hexane 41.98
    ethylene glycol 72.27
    NMP 277.36
    cyclohexane 11.04
    DMSO 383.9
    n-butyl acetate 146.47
    n-octanol 115.03
    chloroform 169.62
    n-propyl acetate 136.57
    acetic acid 112.71
    dichloromethane 166.8
    cyclohexanone 211.27
    propylene glycol 90.51
    isopropyl acetate 107.22
    DMAc 270.5
    2-ethoxyethanol 247.01
    isopentanol 146.26
    n-heptane 27.79
    ethyl formate 92.79
    1,2-dichloroethane 108.38
    n-hexanol 212.64
    2-methoxyethanol 316.13
    isobutyl acetate 120.37
    tetrachloromethane 36.78
    n-pentyl acetate 108.09
    transcutol 421.89
    n-heptanol 104.84
    ethylbenzene 34.69
    MIBK 134.48
    2-propoxyethanol 372.87
    tert-butanol 167.34
    MTBE 190.83
    2-butoxyethanol 172.68
    propionic acid 120.04
    o-xylene 27.1
    formic acid 40.17
    diethyl ether 224.07
    m-xylene 30.9
    p-xylene 50.82
    chlorobenzene 53.93
    dimethyl carbonate 108.2
    n-octane 16.08
    formamide 56.08
    cyclopentanone 367.15
    2-pentanone 209.71
    anisole 115.7
    cyclopentyl methyl ether 234.8
    gamma-butyrolactone 337.56
    1-methoxy-2-propanol 280.07
    pyridine 128.54
    3-pentanone 157.45
    furfural 178.24
    n-dodecane 15.22
    diethylene glycol 259.23
    diisopropyl ether 71.05
    tert-amyl alcohol 153.67
    acetylacetone 194.36
    n-hexadecane 16.29
    acetophenone 88.7
    methyl propionate 182.7
    isopentyl acetate 131.13
    trichloroethylene 160.88
    n-nonanol 98.7
    cyclohexanol 96.91
    benzyl alcohol 82.16
    2-ethylhexanol 115.91
    isooctanol 87.37
    dipropyl ether 159.2
    1,2-dichlorobenzene 50.07
    ethyl lactate 78.46
    propylene carbonate 148.9
    n-methylformamide 146.99
    2-pentanol 127.56
    n-pentane 21.31
    1-propoxy-2-propanol 217.81
    1-methoxy-2-propyl acetate 141.73
    2-(2-methoxypropoxy) propanol 148.1
    mesitylene 22.88
    ε-caprolactone 172.98
    p-cymene 31.8
    epichlorohydrin 319.21
    1,1,1-trichloroethane 100.91
    2-aminoethanol 119.92
    morpholine-4-carbaldehyde 286.98
    sulfolane 330.21
    2,2,4-trimethylpentane 16.88
    2-methyltetrahydrofuran 370.66
    n-hexyl acetate 162.02
    isooctane 15.04
    2-(2-butoxyethoxy)ethanol 213.26
    sec-butyl acetate 96.03
    tert-butyl acetate 113.86
    decalin 17.27
    glycerin 127.56
    diglyme 302.66
    acrylic acid 90.73
    isopropyl myristate 72.06
    n-butyric acid 142.62
    acetyl acetate 86.75
    di(2-ethylhexyl) phthalate 65.37
    ethyl propionate 122.34
    nitromethane 213.94
    1,2-diethoxyethane 207.28
    benzonitrile 65.35
    trioctyl phosphate 55.63
    1-bromopropane 97.7
    gamma-valerolactone 330.81
    n-decanol 79.62
    triethyl phosphate 54.43
    4-methyl-2-pentanol 92.58
    propionitrile 116.08
    vinylene carbonate 113.39
    1,1,2-trichlorotrifluoroethane 133.18
    DMS 128.65
    cumene 36.72
    2-octanol 83.66
    2-hexanone 178.46
    octyl acetate 90.34
    limonene 49.34
    1,2-dimethoxyethane 385.05
    ethyl orthosilicate 54.1
    tributyl phosphate 62.67
    diacetone alcohol 146.49
    N,N-dimethylaniline 83.48
    acrylonitrile 114.76
    aniline 62.75
    1,3-propanediol 151.22
    bromobenzene 47.82
    dibromomethane 107.62
    1,1,2,2-tetrachloroethane 131.65
    2-methyl-cyclohexyl acetate 85.36
    tetrabutyl urea 82.12
    diisobutyl methanol 63.47
    2-phenylethanol 100.81
    styrene 39.26
    dioctyl adipate 82.87
    dimethyl sulfate 139.33
    ethyl butyrate 99.46
    methyl lactate 98.75
    butyl lactate 87.36
    diethyl carbonate 67.94
    propanediol butyl ether 160.83
    triethyl orthoformate 73.69
    p-tert-butyltoluene 33.44
    methyl 4-tert-butylbenzoate 99.57
    morpholine 341.91
    tert-butylamine 111.51
    n-dodecanol 65.61
    dimethoxymethane 344.85
    ethylene carbonate 104.3
    cyrene 128.96
    2-ethoxyethyl acetate 146.63
    2-ethylhexyl acetate 105.47
    1,2,4-trichlorobenzene 65.72
    4-methylpyridine 114.07
    dibutyl ether 137.59
    2,6-dimethyl-4-heptanol 63.47
    DEF 178.57
    dimethyl isosorbide 202.72
    tetrachloroethylene 86.63
    eugenol 113.59
    triacetin 117.58
    span 80 127.47
    1,4-butanediol 101.27
    1,1-dichloroethane 118.65
    2-methyl-1-pentanol 145.43
    methyl formate 131.93
    2-methyl-1-butanol 142.93
    n-decane 22.18
    butyronitrile 115.26
    3,7-dimethyl-1-octanol 100.01
    1-chlorooctane 69.9
    1-chlorotetradecane 33.73
    n-nonane 22.98
    undecane 17.97
    tert-butylcyclohexane 23.6
    cyclooctane 6.67
    cyclopentanol 153.23
    tetrahydropyran 280.89
    tert-amyl methyl ether 144.21
    2,5,8-trioxanonane 223.96
    1-hexene 117.81
    2-isopropoxyethanol 197.28
    2,2,2-trifluoroethanol 48.59
    methyl butyrate 146.25

    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