1H-Indole-1-heptanol, eta-1H-indol-1-yl-alpha,alpha,epsilon-trimethyl-

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  • Identifiers

    CAS number
    67801-36-9

    Molecular formula
    C26H32N2O

    SMILES
    CC(CCCC(C)(C)O)CC(N1C=CC2=CC=CC=C21)N3C=CC4=CC=CC=C43

  • Odor profile

    Fragrance
    Floral 73.67%
    Animal 46.73%
    Fresh 35.72%
    Neroli 35.3%
    Lily 34.94%
    Rose 33.57%
    Fruity 26.3%
    Muguet 25.86%
    Grape 24.83%
    Sweet 24.64%

     

    Flavor
    Bitter 46.32%
    Mild 24.6%
    Green 23.74%
    Cedarleaf 19.19%
    Green pepper 18.97%
    Carrot 18.9%
    Heather 18.85%
    Syrup 18.74%
    Tomato leaf 18.64%
    Broom 18.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    8.15 (weak base)

    Molecular weight
    388.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    836°C

    Flash point

    • 239.1 ˚C est.

  • Synonyms

    • 67801-36-9
    • 1H-Indole-1-heptanol, eta-1H-indol-1-yl-alpha,alpha,epsilon-trimethyl-
    • 8,8-di(indol-1-yl)-2,6-dimethyloctan-2-ol
    • Indol-hydroxycitronellal (Schiff Base)
    • 8,8-Bis(1H-indol-1-yl)-2,6-dimethyl-2-octanol
    • EINECS 267-156-1
    • INDOLENE 50
    • DTXSID10867343
    • eta-1H-Indol-1-yl-alpha,alpha,epsilon-trimethyl-1H-indole-1-heptanol
    • 1H-Indole-1-heptanol, .eta.-1H-indol-1-yl-.alpha.,.alpha.,.epsilon.-trimethyl-
    • 1H-Indole-1-heptanol, eta-1H-indol-1-yl-alpha,alpha, epsilon-trimethyl-
    • indolall
    • Hydroxycitronellal - indol (Schiff Base)
    • SCHEMBL215114
    • DTXCID60815536
    • YKLKFIPZNHLBMW-UHFFFAOYSA-N
    • Hydroxycitronellal-indol (Schiff Base)
    • NS00012646
    • 267-156-1

  • Applications

    1H-Indole-1-heptanol, eta-1H-indol-1-yl-alpha,alpha,epsilon-trimethyl- (CAS 67801-36-9) is used as a specialty chemical intermediate with fragrance-related applications across several industries. In perfumery and cosmetics, it can function as an odorant or fragrance precursor and may contribute to base notes due to the indole scaffold and the appended heptanol moiety. In household products, it may be employed as a fragrance component in scented cleaners and air fresheners. In polymers and coatings, it can serve as a synthesis intermediate for indole-containing polymers or as a processing aid in specialty coatings. In coatings and inks, it may act as a fragrance additive or niche chemical intermediate in formulations. In pharmaceutical synthesis, it may be evaluated as a synthetic intermediate for indole-derived drugs or related heterocycles. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.25
    methanol 69.67
    isopropanol 30.39
    water 0.09
    ethyl acetate 84.96
    n-propanol 66.0
    acetone 66.83
    n-butanol 67.78
    acetonitrile 15.21
    DMF 44.35
    toluene 55.83
    isobutanol 43.69
    1,4-dioxane 171.76
    methyl acetate 60.1
    THF 426.22
    2-butanone 103.05
    n-pentanol 67.68
    sec-butanol 48.29
    n-hexane 4.96
    ethylene glycol 4.4
    NMP 46.47
    cyclohexane 7.48
    DMSO 54.04
    n-butyl acetate 82.39
    n-octanol 33.6
    chloroform 360.87
    n-propyl acetate 72.0
    acetic acid 46.56
    dichloromethane 300.75
    cyclohexanone 134.37
    propylene glycol 12.55
    isopropyl acetate 60.89
    DMAc 103.97
    2-ethoxyethanol 116.18
    isopentanol 56.98
    n-heptane 4.48
    ethyl formate 42.81
    1,2-dichloroethane 127.11
    n-hexanol 55.03
    2-methoxyethanol 111.82
    isobutyl acetate 75.14
    tetrachloromethane 21.68
    n-pentyl acetate 82.83
    transcutol 498.06
    n-heptanol 37.19
    ethylbenzene 30.56
    MIBK 60.09
    2-propoxyethanol 138.93
    tert-butanol 23.19
    MTBE 58.45
    2-butoxyethanol 100.53
    propionic acid 32.91
    o-xylene 21.61
    formic acid 15.05
    diethyl ether 85.09
    m-xylene 24.65
    p-xylene 40.0
    chlorobenzene 76.64
    dimethyl carbonate 27.89
    n-octane 2.66
    formamide 21.55
    cyclopentanone 124.77
    2-pentanone 81.75
    anisole 76.82
    cyclopentyl methyl ether 92.37
    gamma-butyrolactone 119.39
    1-methoxy-2-propanol 94.43
    pyridine 153.51
    3-pentanone 64.89
    furfural 104.57
    n-dodecane 2.64
    diethylene glycol 56.77
    diisopropyl ether 17.18
    tert-amyl alcohol 35.45
    acetylacetone 84.98
    n-hexadecane 3.05
    acetophenone 65.27
    methyl propionate 64.59
    isopentyl acetate 92.37
    trichloroethylene 234.83
    n-nonanol 38.59
    cyclohexanol 40.51
    benzyl alcohol 59.95
    2-ethylhexanol 40.17
    isooctanol 34.82
    dipropyl ether 59.07
    1,2-dichlorobenzene 59.45
    ethyl lactate 32.28
    propylene carbonate 79.08
    n-methylformamide 25.53
    2-pentanol 34.5
    n-pentane 3.51
    1-propoxy-2-propanol 90.77
    1-methoxy-2-propyl acetate 107.28
    2-(2-methoxypropoxy) propanol 106.52
    mesitylene 11.16
    ε-caprolactone 132.86
    p-cymene 16.47
    epichlorohydrin 254.36
    1,1,1-trichloroethane 84.03
    2-aminoethanol 20.39
    morpholine-4-carbaldehyde 103.96
    sulfolane 86.15
    2,2,4-trimethylpentane 3.22
    2-methyltetrahydrofuran 189.83
    n-hexyl acetate 94.2
    isooctane 1.79
    2-(2-butoxyethoxy)ethanol 169.96
    sec-butyl acetate 61.88
    tert-butyl acetate 57.59
    decalin 5.13
    glycerin 17.98
    diglyme 273.68
    acrylic acid 24.27
    isopropyl myristate 41.65
    n-butyric acid 72.71
    acetyl acetate 42.32
    di(2-ethylhexyl) phthalate 48.54
    ethyl propionate 60.91
    nitromethane 53.87
    1,2-diethoxyethane 169.54
    benzonitrile 41.83
    trioctyl phosphate 27.42
    1-bromopropane 97.28
    gamma-valerolactone 231.89
    n-decanol 28.55
    triethyl phosphate 32.78
    4-methyl-2-pentanol 26.29
    propionitrile 28.95
    vinylene carbonate 73.6
    1,1,2-trichlorotrifluoroethane 105.4
    DMS 57.95
    cumene 20.95
    2-octanol 23.31
    2-hexanone 86.76
    octyl acetate 53.6
    limonene 23.82
    1,2-dimethoxyethane 189.96
    ethyl orthosilicate 38.3
    tributyl phosphate 33.52
    diacetone alcohol 57.19
    N,N-dimethylaniline 45.36
    acrylonitrile 26.14
    aniline 52.8
    1,3-propanediol 41.36
    bromobenzene 79.36
    dibromomethane 183.21
    1,1,2,2-tetrachloroethane 194.69
    2-methyl-cyclohexyl acetate 72.67
    tetrabutyl urea 45.03
    diisobutyl methanol 18.49
    2-phenylethanol 63.17
    styrene 39.97
    dioctyl adipate 68.16
    dimethyl sulfate 27.58
    ethyl butyrate 64.59
    methyl lactate 28.72
    butyl lactate 60.91
    diethyl carbonate 42.25
    propanediol butyl ether 72.04
    triethyl orthoformate 60.86
    p-tert-butyltoluene 14.03
    methyl 4-tert-butylbenzoate 67.68
    morpholine 191.77
    tert-butylamine 13.1
    n-dodecanol 20.51
    dimethoxymethane 106.28
    ethylene carbonate 62.89
    cyrene 72.61
    2-ethoxyethyl acetate 136.43
    2-ethylhexyl acetate 79.08
    1,2,4-trichlorobenzene 75.36
    4-methylpyridine 102.93
    dibutyl ether 64.43
    2,6-dimethyl-4-heptanol 18.49
    DEF 60.23
    dimethyl isosorbide 164.6
    tetrachloroethylene 112.17
    eugenol 76.15
    triacetin 93.83
    span 80 90.15
    1,4-butanediol 18.53
    1,1-dichloroethane 104.54
    2-methyl-1-pentanol 72.83
    methyl formate 24.21
    2-methyl-1-butanol 60.2
    n-decane 5.09
    butyronitrile 40.15
    3,7-dimethyl-1-octanol 37.03
    1-chlorooctane 28.09
    1-chlorotetradecane 10.1
    n-nonane 4.24
    undecane 3.5
    tert-butylcyclohexane 4.23
    cyclooctane 2.23
    cyclopentanol 37.73
    tetrahydropyran 185.8
    tert-amyl methyl ether 53.41
    2,5,8-trioxanonane 185.32
    1-hexene 32.19
    2-isopropoxyethanol 86.54
    2,2,2-trifluoroethanol 13.22
    methyl butyrate 78.65

    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