1H-Indole, 1,1'-(2-phenylethylidene)bis-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67801-37-0

    Molecular formula
    C24H20N2

    SMILES
    C1=CC=C(C=C1)CC(N2C=CC3=CC=CC=C32)N4C=CC5=CC=CC=C54

    Safety labels

  • Odor profile

    Fragrance
    Floral 60.77%
    Fruity 39.2%
    Animal 39.01%
    Rose 35.86%
    Metallic 25.69%
    Geranium 25.66%
    Neroli 25.39%
    Grape 25.11%
    Earthy 24.65%
    Honey 24.34%

     

    Flavor
    Bitter 64.97%
    Moth ball 20.16%
    Animal 20.04%
    Very strong 19.99%
    Indole 19.71%
    Naphthelene 19.7%
    Nitrile 19.7%
    Tar 18.35%
    Tarry 17.97%
    Cedarleaf 17.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    7.22 (neutral)

    Molecular weight
    336.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    887°C

    Flash point

    • 251.25 ˚C est.

  • Synonyms

    • 2-Phenyl-1,1-bis(1H-indol-1-yl)ethane
    • 1H-Indole, 1,1'-(2-phenylethylidene)bis-
    • EINECS 267-157-7
    • 1,1'-(2-Phenylethylidene)bis(1H-indole)
    • DTXSID4070617
    • 1,1'-(2-Phenylethylidene)bis[1H-indole]
    • RefChem:79869
    • DTXCID5045041
    • 267-157-7
    • 67801-37-0
    • SCHEMBL20471423
    • SJZKQJGANDJRDU-UHFFFAOYSA-N
    • NS00013141
    • 1,1'-(2-phenylethane-1,1-diyl)bis(1H-indole)
    • 1,1'-(2-Phenylethane-1,1-diyl)di(1H-indole)
    • 67801-37-0

  • Applications

    1H-Indole, 1,1'-(2-phenylethylidene)bis-, CAS 67801-37-0 is typically used as an advanced intermediate in organic synthesis, serving as a building block for indole-based dyes and pigment formulations, as well as intermediates for pharmaceutical and agrochemical research. In industry, it may be employed as a precursor to fragrance-related compounds or odorants derived from indole motifs, and as a scaffold for fluorescent or optically active materials used in coatings, inks, or electronics. The compound can also function as a synthetic intermediate in polymer chemistry, enabling functionalized indole-containing monomers or crosslinking agents, with applications in specialty polymers and coatings. Depending on formulation and regulatory requirements, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.12
    methanol 2.72
    isopropanol 1.3
    water 0.01
    ethyl acetate 12.43
    n-propanol 3.43
    acetone 9.89
    n-butanol 3.82
    acetonitrile 2.71
    DMF 15.63
    toluene 23.86
    isobutanol 2.63
    1,4-dioxane 45.27
    methyl acetate 11.58
    THF 139.22
    2-butanone 15.29
    n-pentanol 4.91
    sec-butanol 2.74
    n-hexane 1.33
    ethylene glycol 0.65
    NMP 19.65
    cyclohexane 2.07
    DMSO 14.42
    n-butyl acetate 11.32
    n-octanol 2.19
    chloroform 158.85
    n-propyl acetate 11.21
    acetic acid 7.51
    dichloromethane 200.89
    cyclohexanone 27.91
    propylene glycol 1.01
    isopropyl acetate 11.26
    DMAc 33.56
    2-ethoxyethanol 11.47
    isopentanol 4.08
    n-heptane 1.51
    ethyl formate 7.44
    1,2-dichloroethane 78.78
    n-hexanol 4.41
    2-methoxyethanol 10.29
    isobutyl acetate 12.17
    tetrachloromethane 8.08
    n-pentyl acetate 10.46
    transcutol 56.17
    n-heptanol 2.76
    ethylbenzene 12.94
    MIBK 11.25
    2-propoxyethanol 13.48
    tert-butanol 1.43
    MTBE 6.36
    2-butoxyethanol 9.31
    propionic acid 5.45
    o-xylene 8.97
    formic acid 2.64
    diethyl ether 12.33
    m-xylene 8.82
    p-xylene 12.92
    chlorobenzene 30.74
    dimethyl carbonate 14.29
    n-octane 0.73
    formamide 4.78
    cyclopentanone 43.23
    2-pentanone 12.13
    anisole 29.67
    cyclopentyl methyl ether 24.18
    gamma-butyrolactone 50.37
    1-methoxy-2-propanol 7.99
    pyridine 64.18
    3-pentanone 14.44
    furfural 43.52
    n-dodecane 0.62
    diethylene glycol 7.12
    diisopropyl ether 4.39
    tert-amyl alcohol 3.0
    acetylacetone 24.42
    n-hexadecane 0.75
    acetophenone 22.1
    methyl propionate 13.27
    isopentyl acetate 14.78
    trichloroethylene 165.36
    n-nonanol 3.08
    cyclohexanol 4.79
    benzyl alcohol 14.78
    2-ethylhexanol 4.88
    isooctanol 3.11
    dipropyl ether 13.29
    1,2-dichlorobenzene 32.48
    ethyl lactate 5.93
    propylene carbonate 24.79
    n-methylformamide 5.16
    2-pentanol 2.53
    n-pentane 0.85
    1-propoxy-2-propanol 8.95
    1-methoxy-2-propyl acetate 20.43
    2-(2-methoxypropoxy) propanol 18.14
    mesitylene 4.52
    ε-caprolactone 27.16
    p-cymene 5.82
    epichlorohydrin 119.55
    1,1,1-trichloroethane 34.46
    2-aminoethanol 1.78
    morpholine-4-carbaldehyde 30.96
    sulfolane 43.56
    2,2,4-trimethylpentane 1.02
    2-methyltetrahydrofuran 38.92
    n-hexyl acetate 10.36
    isooctane 0.52
    2-(2-butoxyethoxy)ethanol 19.29
    sec-butyl acetate 11.34
    tert-butyl acetate 12.88
    decalin 2.33
    glycerin 2.39
    diglyme 52.17
    acrylic acid 6.71
    isopropyl myristate 7.75
    n-butyric acid 8.66
    acetyl acetate 12.83
    di(2-ethylhexyl) phthalate 9.29
    ethyl propionate 13.14
    nitromethane 15.04
    1,2-diethoxyethane 26.46
    benzonitrile 11.34
    trioctyl phosphate 4.78
    1-bromopropane 31.77
    gamma-valerolactone 57.23
    n-decanol 2.57
    triethyl phosphate 10.88
    4-methyl-2-pentanol 2.74
    propionitrile 4.55
    vinylene carbonate 25.88
    1,1,2-trichlorotrifluoroethane 36.45
    DMS 17.47
    cumene 8.37
    2-octanol 1.78
    2-hexanone 13.72
    octyl acetate 8.02
    limonene 6.64
    1,2-dimethoxyethane 35.3
    ethyl orthosilicate 11.66
    tributyl phosphate 6.73
    diacetone alcohol 9.67
    N,N-dimethylaniline 18.26
    acrylonitrile 6.77
    aniline 16.38
    1,3-propanediol 3.05
    bromobenzene 40.31
    dibromomethane 92.98
    1,1,2,2-tetrachloroethane 104.03
    2-methyl-cyclohexyl acetate 16.62
    tetrabutyl urea 9.01
    diisobutyl methanol 3.75
    2-phenylethanol 12.84
    styrene 17.42
    dioctyl adipate 15.64
    dimethyl sulfate 21.02
    ethyl butyrate 13.96
    methyl lactate 6.49
    butyl lactate 7.18
    diethyl carbonate 11.08
    propanediol butyl ether 4.6
    triethyl orthoformate 14.38
    p-tert-butyltoluene 5.29
    methyl 4-tert-butylbenzoate 18.96
    morpholine 33.47
    tert-butylamine 1.18
    n-dodecanol 2.22
    dimethoxymethane 26.6
    ethylene carbonate 17.8
    cyrene 18.69
    2-ethoxyethyl acetate 22.95
    2-ethylhexyl acetate 13.71
    1,2,4-trichlorobenzene 38.3
    4-methylpyridine 28.94
    dibutyl ether 9.67
    2,6-dimethyl-4-heptanol 3.75
    DEF 14.48
    dimethyl isosorbide 39.98
    tetrachloroethylene 61.95
    eugenol 16.68
    triacetin 18.57
    span 80 12.23
    1,4-butanediol 1.6
    1,1-dichloroethane 32.29
    2-methyl-1-pentanol 7.04
    methyl formate 6.53
    2-methyl-1-butanol 4.52
    n-decane 1.02
    butyronitrile 4.65
    3,7-dimethyl-1-octanol 3.52
    1-chlorooctane 4.47
    1-chlorotetradecane 2.41
    n-nonane 0.8
    undecane 0.77
    tert-butylcyclohexane 1.69
    cyclooctane 0.96
    cyclopentanol 5.35
    tetrahydropyran 33.08
    tert-amyl methyl ether 8.79
    2,5,8-trioxanonane 39.17
    1-hexene 6.29
    2-isopropoxyethanol 9.78
    2,2,2-trifluoroethanol 3.88
    methyl butyrate 14.57

    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