1H-Indole, 1,1'-(3,7-dimethyl-6-octen-1-ylidene)bis-

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  • Identifiers

    CAS number
    67801-16-5

    Molecular formula
    C26H30N2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 62.21%
    Animal 41.51%
    Fruity 39.44%
    Fresh 37.94%
    Rose 34.07%
    Neroli 33.4%
    Lily 27.16%
    Green 25.4%
    Metallic 24.36%
    Waxy 22.23%

     

    Flavor
    Bitter 44.41%
    Herbal 20.72%
    Cedarleaf 19.26%
    Oriental 18.78%
    Nitrile 18.65%
    Carrot 18.51%
    Heather 18.45%
    Green pepper 18.38%
    Diterpene 18.37%
    Low 18.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    8.11 (weak base)

    Molecular weight
    370.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    740°C

    Flash point

    • 231.6 ˚C est.

  • Synonyms

    • 1H-Indole, 1,1'-(3,7-dimethyl-6-octen-1-ylidene)bis-
    • EINECS 267-136-2
    • 1,1'-(3,7-Dimethyloct-6-enylidene)bis(1H-indole)
    • 1H-Indole, 1,1'-(3,7-dimethyl-6-octenylidene)bis-
    • DTXSID00867337
    • 8,8-Bis(1H-indol-1-yl)-2,6-dimethyl-2-octene
    • RefChem:438666
    • DTXCID00815530
    • 267-136-2
    • 67801-16-5
    • 1-(1-indol-1-yl-3,7-dimethyloct-6-enyl)indole
    • RYWJPLGWOMDLNH-UHFFFAOYSA-N
    • NS00012237
    • 1,1'-(2,6-Dimethyloct-2-ene-8,8-diyl)di(1H-indole)
    • 1,1'-(3,7-dimethyloct-6-ene-1,1-diyl)bis(1H-indole)
    • 67801-16-5

  • Applications

    1H-Indole, 1,1'-(3,7-dimethyl-6-octen-1-ylidene)bis- is primarily used as an odorant and a synthetic intermediate in fragrance chemistry, contributing to aroma characteristics in perfumery; it may serve as a component in cosmetics/personal care formulations to impart a scent, and can be incorporated into household products as a fragrance ingredient; in industrial manufacturing it is commonly evaluated as an intermediate for the synthesis of additional indole-derived fragrance compounds, and in polymer-related applications it may function as a fragrance additive or as a precursor in scent-release formulations within scented polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.94
    methanol 6.95
    isopropanol 7.54
    water 0.01
    ethyl acetate 65.67
    n-propanol 15.69
    acetone 32.18
    n-butanol 22.74
    acetonitrile 6.72
    DMF 16.81
    toluene 121.33
    isobutanol 15.04
    1,4-dioxane 117.05
    methyl acetate 34.61
    THF 279.59
    2-butanone 62.81
    n-pentanol 30.55
    sec-butanol 19.7
    n-hexane 17.17
    ethylene glycol 0.71
    NMP 36.07
    cyclohexane 26.54
    DMSO 17.97
    n-butyl acetate 78.39
    n-octanol 20.55
    chloroform 485.4
    n-propyl acetate 58.32
    acetic acid 14.12
    dichloromethane 469.28
    cyclohexanone 117.27
    propylene glycol 2.1
    isopropyl acetate 60.44
    DMAc 58.1
    2-ethoxyethanol 36.22
    isopentanol 29.45
    n-heptane 14.11
    ethyl formate 19.65
    1,2-dichloroethane 187.57
    n-hexanol 35.33
    2-methoxyethanol 23.49
    isobutyl acetate 66.83
    tetrachloromethane 40.92
    n-pentyl acetate 74.3
    transcutol 222.5
    n-heptanol 22.6
    ethylbenzene 71.21
    MIBK 59.19
    2-propoxyethanol 57.37
    tert-butanol 9.75
    MTBE 51.51
    2-butoxyethanol 44.83
    propionic acid 12.46
    o-xylene 52.64
    formic acid 2.86
    diethyl ether 77.08
    m-xylene 58.84
    p-xylene 78.45
    chlorobenzene 116.47
    dimethyl carbonate 20.19
    n-octane 6.24
    formamide 4.46
    cyclopentanone 96.49
    2-pentanone 63.45
    anisole 95.89
    cyclopentyl methyl ether 107.1
    gamma-butyrolactone 77.2
    1-methoxy-2-propanol 23.75
    pyridine 139.06
    3-pentanone 65.22
    furfural 73.58
    n-dodecane 4.89
    diethylene glycol 16.16
    diisopropyl ether 30.13
    tert-amyl alcohol 22.51
    acetylacetone 71.52
    n-hexadecane 5.88
    acetophenone 73.87
    methyl propionate 43.27
    isopentyl acetate 98.07
    trichloroethylene 356.83
    n-nonanol 26.14
    cyclohexanol 33.12
    benzyl alcohol 44.29
    2-ethylhexanol 39.8
    isooctanol 25.24
    dipropyl ether 73.31
    1,2-dichlorobenzene 102.01
    ethyl lactate 17.68
    propylene carbonate 56.85
    n-methylformamide 6.47
    2-pentanol 19.67
    n-pentane 10.11
    1-propoxy-2-propanol 43.64
    1-methoxy-2-propyl acetate 87.88
    2-(2-methoxypropoxy) propanol 67.52
    mesitylene 30.49
    ε-caprolactone 107.85
    p-cymene 34.63
    epichlorohydrin 211.61
    1,1,1-trichloroethane 138.66
    2-aminoethanol 3.11
    morpholine-4-carbaldehyde 60.86
    sulfolane 61.84
    2,2,4-trimethylpentane 9.93
    2-methyltetrahydrofuran 170.29
    n-hexyl acetate 82.94
    isooctane 5.14
    2-(2-butoxyethoxy)ethanol 87.37
    sec-butyl acetate 66.77
    tert-butyl acetate 65.36
    decalin 19.96
    glycerin 3.56
    diglyme 161.81
    acrylic acid 9.74
    isopropyl myristate 46.68
    n-butyric acid 33.01
    acetyl acetate 43.05
    di(2-ethylhexyl) phthalate 46.03
    ethyl propionate 59.73
    nitromethane 20.46
    1,2-diethoxyethane 136.98
    benzonitrile 37.47
    trioctyl phosphate 24.12
    1-bromopropane 157.05
    gamma-valerolactone 128.7
    n-decanol 20.03
    triethyl phosphate 38.43
    4-methyl-2-pentanol 20.04
    propionitrile 13.45
    vinylene carbonate 49.28
    1,1,2-trichlorotrifluoroethane 67.85
    DMS 53.95
    cumene 47.32
    2-octanol 17.24
    2-hexanone 76.19
    octyl acetate 52.34
    limonene 46.79
    1,2-dimethoxyethane 93.88
    ethyl orthosilicate 45.69
    tributyl phosphate 32.62
    diacetone alcohol 39.48
    N,N-dimethylaniline 61.75
    acrylonitrile 12.78
    aniline 52.94
    1,3-propanediol 8.01
    bromobenzene 162.0
    dibromomethane 285.99
    1,1,2,2-tetrachloroethane 264.06
    2-methyl-cyclohexyl acetate 87.78
    tetrabutyl urea 43.86
    diisobutyl methanol 22.75
    2-phenylethanol 55.96
    styrene 82.35
    dioctyl adipate 76.25
    dimethyl sulfate 21.64
    ethyl butyrate 73.67
    methyl lactate 11.98
    butyl lactate 34.48
    diethyl carbonate 47.31
    propanediol butyl ether 23.51
    triethyl orthoformate 64.55
    p-tert-butyltoluene 28.67
    methyl 4-tert-butylbenzoate 68.1
    morpholine 101.01
    tert-butylamine 8.94
    n-dodecanol 16.21
    dimethoxymethane 47.6
    ethylene carbonate 40.43
    cyrene 47.54
    2-ethoxyethyl acetate 108.64
    2-ethylhexyl acetate 95.22
    1,2,4-trichlorobenzene 119.31
    4-methylpyridine 110.25
    dibutyl ether 68.45
    2,6-dimethyl-4-heptanol 22.75
    DEF 52.59
    dimethyl isosorbide 134.92
    tetrachloroethylene 157.85
    eugenol 56.87
    triacetin 74.36
    span 80 56.91
    1,4-butanediol 5.25
    1,1-dichloroethane 128.61
    2-methyl-1-pentanol 51.29
    methyl formate 7.31
    2-methyl-1-butanol 32.33
    n-decane 9.1
    butyronitrile 22.87
    3,7-dimethyl-1-octanol 29.73
    1-chlorooctane 37.39
    1-chlorotetradecane 16.48
    n-nonane 7.68
    undecane 6.34
    tert-butylcyclohexane 14.82
    cyclooctane 10.59
    cyclopentanol 23.16
    tetrahydropyran 164.14
    tert-amyl methyl ether 61.23
    2,5,8-trioxanonane 126.48
    1-hexene 63.17
    2-isopropoxyethanol 37.29
    2,2,2-trifluoroethanol 5.39
    methyl butyrate 66.26

    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