Skatole

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  • Identifiers

    CAS number
    83-34-1

    Molecular formula
    C9H9N

    SMILES
    CC1=CNC2=CC=CC=C12

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Floral 74.7%
    Fruity 60.6%
    Animal 57.96%
    Neroli 40.43%
    Grape 37.81%
    Sweet 36.93%
    Orange 35.54%
    Musty 31.84%
    Leathery 29.75%
    Burnt 29.07%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    131.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 95 °C
    • 97.5 °C

    Boiling point

    • 265-266 °C @ 755 MM HG
    • 265.00 to 266.00 °C. @ 755.00 mm Hg

    Flash point est.
    124.72 ˚C

    Solubility expt.

    • 6.8 [ug/mL] (The mean of the results at pH 7.4)
    • SOL IN HOT WATER, ALC, BENZENE, CHLOROFORM, ETHER
    • SOL IN ACETONE, WATER, ETHANOL, ETHER
    • 0.498 mg/mL
    • Soluble in boiling water
    • Soluble (in ethanol)

  • Synonyms

    • 3-METHYLINDOLE
    • 3-Methyl-1H-indole
    • Skatole
    • 83-34-1
    • Scatole
    • Skatol
    • 1H-Indole, 3-methyl-
    • beta-Methylindole
    • Indole, 3-methyl-
    • 3-MI
    • 3-methyl indole
    • 3-Methyl-4,5-benzopyrrole
    • FEMA No. 3019
    • CCRIS 8961
    • NSC 122024
    • HSDB 3511
    • EINECS 201-471-7
    • MFCD00005627
    • .beta.-Methylindole
    • UNII-9W945B5H7R
    • SKATOLUM
    • CHEBI:9171
    • DTXSID8021775
    • AI3-24372
    • 9W945B5H7R
    • NSC-122024
    • DTXCID601775
    • 3-methylindole (skatole)
    • NCGC00167540-01
    • 16alpha-Hydroxycortisol
    • Skatole, >=98%
    • 3 Methylindole
    • CAS-83-34-1
    • SMR000677925
    • b-Methylindole
    • 3-methyl-indole
    • U 34908; 16a,17-Dihydroxy-corticosterone; 11ss,16a,17,21-Tetrahydroxy-pregn-4-ene-3,20-dione; 11ss,16a,17,21-Tetrahydroxypregn-4-ene-3,20-dione
    • Skatole (Standard)
    • 3-methyl-1H-indol
    • SKATOLUM [HPUS]
    • 3-Methylindole, 98%
    • SKATOLE [FHFI]
    • SKATOLE [MI]
    • bmse000516
    • SCHEMBL5396
    • MLS001332537
    • MLS001332538
    • WLN: T56 BMJ D1
    • 3-METHYLINDOLE [HSDB]
    • CHEMBL1329793
    • HMS2233B05
    • HMS3371O13
    • 3-Methylindole, analytical standard
    • BCP00912
    • HY-W007355R
    • Tox21_112537
    • NSC122024
    • s4959
    • STK033388
    • AKOS005254880
    • Tox21_112537_1
    • CCG-214598
    • CG-0502
    • CS-W007355
    • FM10897
    • HY-W007355
    • SB14956
    • NCGC00167540-03
    • AC-13010
    • DB-011225
    • M0347
    • NS00013192
    • EN300-41009
    • C08313
    • P10013
    • SBI-0633474.0002
    • AP-065/40182778
    • Q412281
    • BRD-K73824630-001-03-2
    • Z415653134
    • InChI=1/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H
    • 201-471-7

  • Applications

    Skatole (3-methyl-1H-indole, CAS 83-34-1) is a naturally occurring aroma compound found in feces, peat, sugar-beet pulp, oysters, jasmine and other decaying organic matter; at trace levels it provides a sweet jasmine/leathery note whereas at higher levels it produces the characteristic fecal odor, a duality that allows the flavor-and-fragrance industry to employ it for “animalic” depth in leather, tobacco, chocolate, neroli, musk and masking formulations, as a flavor additive for e-cigarette liquids, confectionery and beverages; in animal science it serves as the key contributor to boar-taint, a biomarker for gut health and feed composition; in medicine it is a synthetic intermediate for antimicrobial agents, a calibration standard for detecting malodor in wounds and urinary disorders, while also being utilized in insect lures, ecological field studies, pollution simulants and the development of novel deodorization technologies.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 433.77
    methanol 570.3
    isopropanol 259.9
    water 5.13
    ethyl acetate 210.02
    n-propanol 307.94
    acetone 364.98
    n-butanol 284.3
    acetonitrile 201.12
    DMF 392.98
    toluene 40.65
    isobutanol 229.82
    1,4-dioxane 484.33
    methyl acetate 211.94
    THF 755.49
    2-butanone 249.27
    n-pentanol 254.76
    sec-butanol 219.25
    n-hexane 44.68
    ethylene glycol 83.53
    NMP 209.29
    cyclohexane 12.62
    DMSO 319.63
    n-butyl acetate 168.45
    n-octanol 104.17
    chloroform 315.98
    n-propyl acetate 162.88
    acetic acid 182.78
    dichloromethane 321.61
    cyclohexanone 205.1
    propylene glycol 82.23
    isopropyl acetate 125.84
    DMAc 198.15
    2-ethoxyethanol 354.06
    isopentanol 226.89
    n-heptane 27.7
    ethyl formate 152.55
    1,2-dichloroethane 191.92
    n-hexanol 226.17
    2-methoxyethanol 423.97
    isobutyl acetate 141.06
    tetrachloromethane 78.66
    n-pentyl acetate 126.51
    transcutol 596.23
    n-heptanol 114.13
    ethylbenzene 44.11
    MIBK 163.49
    2-propoxyethanol 355.36
    tert-butanol 245.58
    MTBE 243.62
    2-butoxyethanol 201.34
    propionic acid 143.86
    o-xylene 33.38
    formic acid 101.97
    diethyl ether 316.97
    m-xylene 40.51
    p-xylene 59.13
    chlorobenzene 75.92
    dimethyl carbonate 98.19
    n-octane 16.98
    formamide 165.99
    cyclopentanone 339.78
    2-pentanone 226.56
    anisole 134.63
    cyclopentyl methyl ether 233.39
    gamma-butyrolactone 341.82
    1-methoxy-2-propanol 299.89
    pyridine 180.63
    3-pentanone 150.22
    furfural 210.26
    n-dodecane 13.34
    diethylene glycol 254.13
    diisopropyl ether 85.9
    tert-amyl alcohol 198.7
    acetylacetone 191.94
    n-hexadecane 14.12
    acetophenone 98.45
    methyl propionate 167.78
    isopentyl acetate 152.41
    trichloroethylene 261.99
    n-nonanol 94.72
    cyclohexanol 107.55
    benzyl alcohol 99.9
    2-ethylhexanol 117.29
    isooctanol 97.77
    dipropyl ether 162.32
    1,2-dichlorobenzene 72.24
    ethyl lactate 76.43
    propylene carbonate 152.1
    n-methylformamide 240.81
    2-pentanol 186.57
    n-pentane 32.05
    1-propoxy-2-propanol 208.71
    1-methoxy-2-propyl acetate 143.43
    2-(2-methoxypropoxy) propanol 145.96
    mesitylene 30.53
    ε-caprolactone 175.93
    p-cymene 34.17
    epichlorohydrin 399.13
    1,1,1-trichloroethane 165.3
    2-aminoethanol 166.35
    morpholine-4-carbaldehyde 257.07
    sulfolane 264.17
    2,2,4-trimethylpentane 20.54
    2-methyltetrahydrofuran 385.16
    n-hexyl acetate 160.15
    isooctane 20.22
    2-(2-butoxyethoxy)ethanol 231.05
    sec-butyl acetate 112.25
    tert-butyl acetate 142.31
    decalin 16.67
    glycerin 120.4
    diglyme 346.66
    acrylic acid 105.72
    isopropyl myristate 71.28
    n-butyric acid 197.95
    acetyl acetate 93.47
    di(2-ethylhexyl) phthalate 60.95
    ethyl propionate 132.52
    nitromethane 299.38
    1,2-diethoxyethane 279.67
    benzonitrile 84.5
    trioctyl phosphate 52.56
    1-bromopropane 144.75
    gamma-valerolactone 325.26
    n-decanol 75.54
    triethyl phosphate 57.22
    4-methyl-2-pentanol 119.2
    propionitrile 175.41
    vinylene carbonate 128.55
    1,1,2-trichlorotrifluoroethane 144.98
    DMS 117.99
    cumene 44.24
    2-octanol 83.03
    2-hexanone 190.66
    octyl acetate 88.27
    limonene 48.33
    1,2-dimethoxyethane 483.28
    ethyl orthosilicate 59.85
    tributyl phosphate 61.66
    diacetone alcohol 157.84
    N,N-dimethylaniline 89.29
    acrylonitrile 165.47
    aniline 85.43
    1,3-propanediol 231.15
    bromobenzene 67.44
    dibromomethane 208.53
    1,1,2,2-tetrachloroethane 185.46
    2-methyl-cyclohexyl acetate 91.15
    tetrabutyl urea 73.21
    diisobutyl methanol 67.74
    2-phenylethanol 111.76
    styrene 51.91
    dioctyl adipate 79.21
    dimethyl sulfate 107.32
    ethyl butyrate 115.29
    methyl lactate 88.2
    butyl lactate 90.33
    diethyl carbonate 76.18
    propanediol butyl ether 139.46
    triethyl orthoformate 81.34
    p-tert-butyltoluene 34.7
    methyl 4-tert-butylbenzoate 99.35
    morpholine 411.52
    tert-butylamine 175.38
    n-dodecanol 60.67
    dimethoxymethane 366.59
    ethylene carbonate 120.68
    cyrene 125.89
    2-ethoxyethyl acetate 176.98
    2-ethylhexyl acetate 113.65
    1,2,4-trichlorobenzene 73.65
    4-methylpyridine 150.87
    dibutyl ether 142.02
    2,6-dimethyl-4-heptanol 67.74
    DEF 185.3
    dimethyl isosorbide 208.3
    tetrachloroethylene 150.81
    eugenol 120.84
    triacetin 108.01
    span 80 119.78
    1,4-butanediol 129.68
    1,1-dichloroethane 185.32
    2-methyl-1-pentanol 203.98
    methyl formate 176.9
    2-methyl-1-butanol 212.48
    n-decane 20.78
    butyronitrile 194.01
    3,7-dimethyl-1-octanol 99.34
    1-chlorooctane 65.91
    1-chlorotetradecane 29.84
    n-nonane 20.6
    undecane 16.13
    tert-butylcyclohexane 24.59
    cyclooctane 7.23
    cyclopentanol 161.43
    tetrahydropyran 329.61
    tert-amyl methyl ether 159.82
    2,5,8-trioxanonane 234.17
    1-hexene 144.03
    2-isopropoxyethanol 262.85
    2,2,2-trifluoroethanol 84.65
    methyl butyrate 164.66

    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