6-Hydroxyindole

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  • Identifiers

    CAS number
    2380-86-1

    Molecular formula
    C8H7NO

    SMILES
    C1=CC(=CC2=C1C=CN2)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 60.78%
    Animal 43.17%
    Burnt 41.55%
    Fruity 40.41%
    Medicinal 32.07%
    Musty 31.14%
    Meaty 29.92%
    Sweet 29.38%
    Nutty 26.98%
    Smoky 26.81%

     

    Flavor
    Bitter 72.31%
    Fecal 26.02%
    Very strong 25.59%
    Indole 25.37%
    Nutty 24.36%
    Moth ball 23.84%
    Naphthelene 23.68%
    Animal 23.65%
    Phenolic 23.38%
    Mild 22.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.59 (weak base)

    Molecular weight
    133.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Flash point

    • 168.98 ˚C est.

  • Synonyms

    • 6-Hydroxyindole
    • 2380-86-1
    • 1H-indol-6-ol
    • IMEXINE OBA
    • 3I03JZ599T
    • DTXSID20178497
    • RefChem:104788
    • DTXCID50100988
    • 417-020-4
    • 6-indolol
    • MFCD00152101
    • indol-6-ol
    • CHEMBL2413822
    • 6-hydroxy indole
    • Indol-6-ol (6CI,7CI,8CI)
    • indolol
    • 6hydroxyindole
    • UNII-3I03JZ599T
    • 6-hydroxy-indole
    • 1H-indole-6-ol
    • 6-hydroxy-1h-indole
    • Pindolol Impurity 10
    • EC 417-020-4
    • SCHEMBL34240
    • SCHEMBL275135
    • orb1301588
    • SCHEMBL2955170
    • SCHEMBL6959510
    • SCHEMBL29355861
    • 1H-indol-6-ol; 6-Hydroxyindole
    • BDBM50559085
    • MSK001264
    • s3315
    • SBB085833
    • 6-Hydroxyindole, >=99.0% (GC)
    • AKOS005257328
    • AB04037
    • AC-3115
    • CS-W002438
    • EBC-153167
    • FH03467
    • HY-W002438
    • PS-5925
    • BP-10186
    • PD144383
    • SY003879
    • DB-007165
    • A4967
    • NS00002735
    • 80H861
    • EN300-114845
    • H-6060
    • F023442
    • Q27257236
    • Z1203162244
    • F60
    • 2380-86-1

  • Applications

    For 6-Hydroxyindole (CAS 2380-86-1), it is typically used as an intermediate in organic synthesis for pharmaceutical and agrochemical development; it also serves as a building block in the synthesis of dyes and pigments for coatings and inks; in fragrance chemistry it can function as a precursor or core unit for aroma compounds and scent modulation; in cosmetics and personal care it may be used as a fragrance-related intermediate or for synthesizing functionalized indole derivatives; it may appear in specialty industrial formulations as a precursor to other specialty chemicals, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.57
    methanol 18.33
    isopropanol 15.57
    water 1.67
    ethyl acetate 9.36
    n-propanol 16.0
    acetone 20.35
    n-butanol 12.89
    acetonitrile 4.16
    DMF 58.47
    toluene 0.14
    isobutanol 14.74
    1,4-dioxane 13.9
    methyl acetate 15.24
    THF 76.36
    2-butanone 20.7
    n-pentanol 19.46
    sec-butanol 15.9
    n-hexane 0.18
    ethylene glycol 23.4
    NMP 43.25
    cyclohexane 0.03
    DMSO 60.47
    n-butyl acetate 12.3
    n-octanol 12.39
    chloroform 1.6
    n-propyl acetate 14.57
    acetic acid 20.74
    dichloromethane 0.9
    cyclohexanone 12.2
    propylene glycol 25.82
    isopropyl acetate 7.9
    DMAc 79.39
    2-ethoxyethanol 72.48
    isopentanol 16.41
    n-heptane 0.4
    ethyl formate 7.75
    1,2-dichloroethane 1.03
    n-hexanol 24.6
    2-methoxyethanol 76.78
    isobutyl acetate 12.39
    tetrachloromethane 1.12
    n-pentyl acetate 11.57
    transcutol 69.21
    n-heptanol 16.87
    ethylbenzene 0.46
    MIBK 15.3
    2-propoxyethanol 87.0
    tert-butanol 26.08
    MTBE 8.88
    2-butoxyethanol 54.97
    propionic acid 19.1
    o-xylene 0.36
    formic acid 21.27
    diethyl ether 2.96
    m-xylene 0.46
    p-xylene 0.97
    chlorobenzene 0.59
    dimethyl carbonate 11.63
    n-octane 0.26
    formamide 29.5
    cyclopentanone 41.71
    2-pentanone 14.41
    anisole 6.69
    cyclopentyl methyl ether 10.24
    gamma-butyrolactone 43.99
    1-methoxy-2-propanol 67.33
    pyridine 2.78
    3-pentanone 7.28
    furfural 25.53
    n-dodecane 0.36
    diethylene glycol 91.85
    diisopropyl ether 2.15
    tert-amyl alcohol 22.74
    acetylacetone 19.76
    n-hexadecane 0.39
    acetophenone 9.55
    methyl propionate 14.39
    isopentyl acetate 13.05
    trichloroethylene 2.97
    n-nonanol 12.18
    cyclohexanol 4.77
    benzyl alcohol 8.66
    2-ethylhexanol 12.18
    isooctanol 15.36
    dipropyl ether 8.49
    1,2-dichlorobenzene 1.36
    ethyl lactate 20.26
    propylene carbonate 15.95
    n-methylformamide 26.16
    2-pentanol 9.81
    n-pentane 0.07
    1-propoxy-2-propanol 45.75
    1-methoxy-2-propyl acetate 22.54
    2-(2-methoxypropoxy) propanol 45.1
    mesitylene 0.57
    ε-caprolactone 14.07
    p-cymene 1.81
    epichlorohydrin 31.75
    1,1,1-trichloroethane 2.07
    2-aminoethanol 37.56
    morpholine-4-carbaldehyde 45.84
    sulfolane 60.17
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 22.67
    n-hexyl acetate 15.74
    isooctane 0.32
    2-(2-butoxyethoxy)ethanol 54.59
    sec-butyl acetate 9.66
    tert-butyl acetate 12.01
    decalin 0.17
    glycerin 60.13
    diglyme 78.67
    acrylic acid 16.78
    isopropyl myristate 7.84
    n-butyric acid 16.48
    acetyl acetate 5.42
    di(2-ethylhexyl) phthalate 10.92
    ethyl propionate 12.56
    nitromethane 35.86
    1,2-diethoxyethane 14.66
    benzonitrile 4.06
    trioctyl phosphate 9.79
    1-bromopropane 0.53
    gamma-valerolactone 46.41
    n-decanol 9.32
    triethyl phosphate 8.71
    4-methyl-2-pentanol 11.08
    propionitrile 5.41
    vinylene carbonate 9.96
    1,1,2-trichlorotrifluoroethane 35.58
    DMS 11.51
    cumene 1.14
    2-octanol 10.26
    2-hexanone 21.83
    octyl acetate 11.08
    limonene 2.15
    1,2-dimethoxyethane 64.51
    ethyl orthosilicate 8.03
    tributyl phosphate 9.88
    diacetone alcohol 35.4
    N,N-dimethylaniline 6.66
    acrylonitrile 7.5
    aniline 1.32
    1,3-propanediol 39.07
    bromobenzene 0.36
    dibromomethane 0.44
    1,1,2,2-tetrachloroethane 3.78
    2-methyl-cyclohexyl acetate 12.12
    tetrabutyl urea 15.01
    diisobutyl methanol 7.54
    2-phenylethanol 13.1
    styrene 0.39
    dioctyl adipate 11.88
    dimethyl sulfate 25.26
    ethyl butyrate 11.01
    methyl lactate 25.05
    butyl lactate 17.99
    diethyl carbonate 7.75
    propanediol butyl ether 36.63
    triethyl orthoformate 9.89
    p-tert-butyltoluene 1.82
    methyl 4-tert-butylbenzoate 20.11
    morpholine 19.43
    tert-butylamine 8.47
    n-dodecanol 7.09
    dimethoxymethane 32.5
    ethylene carbonate 8.08
    cyrene 40.8
    2-ethoxyethyl acetate 18.68
    2-ethylhexyl acetate 9.23
    1,2,4-trichlorobenzene 2.16
    4-methylpyridine 2.86
    dibutyl ether 6.14
    2,6-dimethyl-4-heptanol 7.54
    DEF 15.57
    dimethyl isosorbide 51.09
    tetrachloroethylene 3.0
    eugenol 31.03
    triacetin 17.98
    span 80 26.98
    1,4-butanediol 28.97
    1,1-dichloroethane 1.13
    2-methyl-1-pentanol 20.6
    methyl formate 17.52
    2-methyl-1-butanol 14.78
    n-decane 0.49
    butyronitrile 4.94
    3,7-dimethyl-1-octanol 11.42
    1-chlorooctane 2.67
    1-chlorotetradecane 1.35
    n-nonane 0.39
    undecane 0.41
    tert-butylcyclohexane 0.39
    cyclooctane 0.03
    cyclopentanol 14.93
    tetrahydropyran 4.88
    tert-amyl methyl ether 8.3
    2,5,8-trioxanonane 64.12
    1-hexene 0.96
    2-isopropoxyethanol 52.03
    2,2,2-trifluoroethanol 15.81
    methyl butyrate 16.13

    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