1H-Indole-3-heptanol, eta-1H-indol-3-yl-alpha,alpha,epsilon-trimethyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67860-00-8

    Molecular formula
    C26H32N2O

    SMILES
    CC(CCCC(C)(C)O)CC(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 71.25%
    Animal 45.37%
    Fruity 40.51%
    Rose 35.17%
    Fresh 34.17%
    Neroli 33.56%
    Lily 29.36%
    Musk 23.37%
    Grape 22.42%
    Powdery 21.66%

     

    Flavor
    Bitter 49.42%
    Mild 23.29%
    Cedarleaf 19.27%
    Heather 18.83%
    Green pepper 18.72%
    Carrot 18.69%
    Bland 18.63%
    Delicate 18.51%
    Broom 18.42%
    Syrup 18.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    8.17 (weak base)

    Molecular weight
    388.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1117°C

    Flash point

    • 263.19 ˚C est.

  • Synonyms

    • 67860-00-8
    • EINECS 267-434-2
    • 8,8-Bis(1H-indol-3-yl)-2,6-dimethyl-2-octanol
    • 1H-Indole-3-heptanol, eta-1H-indol-3-yl-alpha,alpha,epsilon-trimethyl-
    • DTXSID90867366
    • 1H-Indole-3-heptanol, .eta.-1H-indol-3-yl-.alpha.,.alpha.,.epsilon.-trimethyl-
    • eta-1H-Indol-3-yl-alpha,alpha,epsilon-trimethyl-1H-indole-3-heptanol
    • 1H-Indole-3-heptanol, eta-1H-indol-3-yl-alpha,alpha, epsilon-trimethyl-
    • SCHEMBL3674844
    • DTXCID20815557
    • SYOSSKZMWMHVSA-UHFFFAOYSA-N
    • 267-434-2

  • Applications

    1H-Indole-3-heptanol, eta-1H-indol-3-yl-alpha,alpha,epsilon-trimethyl- (CAS 67860-00-8) is primarily encountered as a synthetic intermediate and fragrance-related compound. In perfumery and cosmetics, it may serve as a fragrance note and, due to its indole core, as a potential fixative or modifier of aroma volatility. In industrial manufacturing, it is used as a building block for the synthesis of indole-containing dyes and specialty polymers, and as a precursor for pharmaceutical or agrochemical candidates. It may also be evaluated for flavor or aroma applications in food-related formulations, and as a starting material for coatings and inks formulations, subject to regulatory approval and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.92
    methanol 40.04
    isopropanol 10.9
    water 0.06
    ethyl acetate 19.68
    n-propanol 25.41
    acetone 26.26
    n-butanol 24.44
    acetonitrile 3.11
    DMF 44.57
    toluene 3.93
    isobutanol 14.23
    1,4-dioxane 31.4
    methyl acetate 18.72
    THF 135.31
    2-butanone 39.93
    n-pentanol 23.0
    sec-butanol 14.69
    n-hexane 0.48
    ethylene glycol 2.55
    NMP 24.62
    cyclohexane 0.29
    DMSO 24.12
    n-butyl acetate 23.19
    n-octanol 9.6
    chloroform 48.89
    n-propyl acetate 22.58
    acetic acid 19.32
    dichloromethane 37.11
    cyclohexanone 33.3
    propylene glycol 6.62
    isopropyl acetate 14.77
    DMAc 74.52
    2-ethoxyethanol 61.32
    isopentanol 18.43
    n-heptane 0.41
    ethyl formate 13.74
    1,2-dichloroethane 14.87
    n-hexanol 15.95
    2-methoxyethanol 70.27
    isobutyl acetate 22.66
    tetrachloromethane 2.67
    n-pentyl acetate 28.7
    transcutol 215.14
    n-heptanol 12.45
    ethylbenzene 3.1
    MIBK 18.02
    2-propoxyethanol 69.52
    tert-butanol 6.57
    MTBE 13.1
    2-butoxyethanol 51.19
    propionic acid 12.08
    o-xylene 1.74
    formic acid 9.52
    diethyl ether 14.75
    m-xylene 2.46
    p-xylene 4.19
    chlorobenzene 8.48
    dimethyl carbonate 10.16
    n-octane 0.32
    formamide 13.08
    cyclopentanone 45.43
    2-pentanone 29.42
    anisole 16.19
    cyclopentyl methyl ether 18.37
    gamma-butyrolactone 41.14
    1-methoxy-2-propanol 52.44
    pyridine 28.08
    3-pentanone 18.3
    furfural 36.64
    n-dodecane 0.27
    diethylene glycol 30.01
    diisopropyl ether 2.65
    tert-amyl alcohol 11.13
    acetylacetone 28.08
    n-hexadecane 0.31
    acetophenone 17.98
    methyl propionate 21.11
    isopentyl acetate 26.99
    trichloroethylene 47.29
    n-nonanol 10.91
    cyclohexanol 7.11
    benzyl alcohol 15.41
    2-ethylhexanol 9.09
    isooctanol 11.05
    dipropyl ether 10.22
    1,2-dichlorobenzene 7.54
    ethyl lactate 12.68
    propylene carbonate 22.57
    n-methylformamide 17.62
    2-pentanol 9.8
    n-pentane 0.31
    1-propoxy-2-propanol 38.31
    1-methoxy-2-propyl acetate 38.73
    2-(2-methoxypropoxy) propanol 44.93
    mesitylene 1.14
    ε-caprolactone 36.2
    p-cymene 2.19
    epichlorohydrin 74.36
    1,1,1-trichloroethane 10.1
    2-aminoethanol 10.82
    morpholine-4-carbaldehyde 49.88
    sulfolane 32.69
    2,2,4-trimethylpentane 0.38
    2-methyltetrahydrofuran 40.93
    n-hexyl acetate 29.55
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 70.77
    sec-butyl acetate 17.31
    tert-butyl acetate 15.95
    decalin 0.34
    glycerin 10.74
    diglyme 112.68
    acrylic acid 9.19
    isopropyl myristate 9.18
    n-butyric acid 25.66
    acetyl acetate 8.76
    di(2-ethylhexyl) phthalate 14.42
    ethyl propionate 16.92
    nitromethane 24.61
    1,2-diethoxyethane 46.29
    benzonitrile 7.32
    trioctyl phosphate 8.34
    1-bromopropane 10.14
    gamma-valerolactone 103.72
    n-decanol 7.23
    triethyl phosphate 8.52
    4-methyl-2-pentanol 7.32
    propionitrile 5.44
    vinylene carbonate 21.14
    1,1,2-trichlorotrifluoroethane 47.74
    DMS 18.17
    cumene 2.4
    2-octanol 6.98
    2-hexanone 29.44
    octyl acetate 13.88
    limonene 3.06
    1,2-dimethoxyethane 82.19
    ethyl orthosilicate 9.93
    tributyl phosphate 9.7
    diacetone alcohol 23.31
    N,N-dimethylaniline 9.8
    acrylonitrile 6.41
    aniline 7.84
    1,3-propanediol 21.65
    bromobenzene 7.21
    dibromomethane 18.62
    1,1,2,2-tetrachloroethane 34.57
    2-methyl-cyclohexyl acetate 19.54
    tetrabutyl urea 14.51
    diisobutyl methanol 4.27
    2-phenylethanol 17.15
    styrene 3.9
    dioctyl adipate 18.33
    dimethyl sulfate 11.6
    ethyl butyrate 16.77
    methyl lactate 13.88
    butyl lactate 25.61
    diethyl carbonate 10.3
    propanediol butyl ether 38.17
    triethyl orthoformate 16.76
    p-tert-butyltoluene 2.0
    methyl 4-tert-butylbenzoate 24.05
    morpholine 51.17
    tert-butylamine 2.64
    n-dodecanol 4.58
    dimethoxymethane 54.72
    ethylene carbonate 15.41
    cyrene 34.67
    2-ethoxyethyl acetate 56.81
    2-ethylhexyl acetate 20.3
    1,2,4-trichlorobenzene 11.16
    4-methylpyridine 19.92
    dibutyl ether 11.96
    2,6-dimethyl-4-heptanol 4.27
    DEF 23.7
    dimethyl isosorbide 65.4
    tetrachloroethylene 19.86
    eugenol 32.13
    triacetin 36.1
    span 80 34.43
    1,4-butanediol 8.5
    1,1-dichloroethane 13.52
    2-methyl-1-pentanol 22.53
    methyl formate 13.29
    2-methyl-1-butanol 19.76
    n-decane 0.56
    butyronitrile 8.31
    3,7-dimethyl-1-octanol 9.2
    1-chlorooctane 3.71
    1-chlorotetradecane 1.14
    n-nonane 0.45
    undecane 0.37
    tert-butylcyclohexane 0.39
    cyclooctane 0.13
    cyclopentanol 9.12
    tetrahydropyran 29.22
    tert-amyl methyl ether 12.3
    2,5,8-trioxanonane 68.8
    1-hexene 3.92
    2-isopropoxyethanol 39.04
    2,2,2-trifluoroethanol 5.06
    methyl butyrate 24.81

    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