2-(4-Dodecylphenyl)indole

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  • Identifiers

    CAS number
    52047-59-3

    Molecular formula
    C26H35N

    SMILES
    CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2

    Safety labels

  • Odor profile

    Fragrance
    Waxy 48.71%
    Fatty 41.57%
    Animal 36.48%
    Oily 33.11%
    Floral 32.2%
    Burnt 29.21%
    Earthy 25.19%
    Metallic 24.96%
    Balsamic 23.66%
    Spicy 23.29%

     

    Flavor
    Waxy 23.28%
    Mild 20.97%
    Diterpene 19.95%
    Delicate 19.83%
    Low 19.71%
    Creosote 19.65%
    Slightly waxy 19.57%
    Thymol 19.15%
    Syrup 19.12%
    Terpentine 19.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.0

    pKa est.
    8.12 (weak base)

    Molecular weight
    361.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    546°C

    Flash point

    • 225.03 ˚C est.

  • Synonyms

    • 2-(4-Dodecylphenyl)-1H-indole
    • 52047-59-3
    • 2-(4-Dodecylphenyl)indole
    • 1H-Indole, 2-(4-dodecylphenyl)-
    • EINECS 257-624-3
    • 6IKF676DP8
    • DTXSID3068702
    • RefChem:457490
    • DTXCID7041126
    • 257-624-3
    • UNII-6IKF676DP8
    • SCHEMBL10513486
    • BTFUHFBRQZAJRT-UHFFFAOYSA-N
    • NS00060128
    • Q27264966
    • 52047-59-3

  • Applications

    For 2-(4-Dodecylphenyl)indole (CAS 52047-59-3), it is used as a synthetic intermediate for dye and pigment chemistry and as a building block for organic electronic and photonic materials. In fragrance and cosmetics, indole derivatives often contribute distinctive notes, so the compound may be evaluated as a fragrance ingredient or formulation intermediate for personal care products under appropriate regulatory constraints. In coatings and inks, it can serve as a precursor for colorants or UV-modifying additives in specialty formulations. In polymer and plastics manufacturing, it may be used as a building block to tailor polymer properties for niche applications. In research contexts, it may be explored as a scaffold for chemical synthesis related to medicinal chemistry, but any pharmaceutical use would be subject to rigorous regulatory evaluation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 236.32
    methanol 172.67
    isopropanol 131.91
    water 0.12
    ethyl acetate 548.2
    n-propanol 228.2
    acetone 651.58
    n-butanol 240.12
    acetonitrile 80.47
    DMF 541.98
    toluene 158.98
    isobutanol 164.96
    1,4-dioxane 522.54
    methyl acetate 399.11
    THF 1395.77
    2-butanone 630.11
    n-pentanol 170.61
    sec-butanol 175.3
    n-hexane 34.08
    ethylene glycol 6.69
    NMP 315.23
    cyclohexane 44.56
    DMSO 347.11
    n-butyl acetate 420.22
    n-octanol 59.51
    chloroform 809.01
    n-propyl acetate 407.31
    acetic acid 127.0
    dichloromethane 1015.7
    cyclohexanone 659.93
    propylene glycol 18.37
    isopropyl acetate 389.6
    DMAc 673.3
    2-ethoxyethanol 278.66
    isopentanol 223.49
    n-heptane 25.52
    ethyl formate 196.07
    1,2-dichloroethane 686.3
    n-hexanol 123.5
    2-methoxyethanol 301.25
    isobutyl acetate 357.33
    tetrachloromethane 126.63
    n-pentyl acetate 352.53
    transcutol 1021.3
    n-heptanol 70.38
    ethylbenzene 92.75
    MIBK 344.94
    2-propoxyethanol 282.77
    tert-butanol 134.46
    MTBE 452.86
    2-butoxyethanol 192.19
    propionic acid 130.24
    o-xylene 72.69
    formic acid 24.44
    diethyl ether 541.21
    m-xylene 81.13
    p-xylene 129.23
    chlorobenzene 212.16
    dimethyl carbonate 177.34
    n-octane 13.9
    formamide 63.6
    cyclopentanone 689.17
    2-pentanone 581.76
    anisole 257.44
    cyclopentyl methyl ether 447.95
    gamma-butyrolactone 604.32
    1-methoxy-2-propanol 247.62
    pyridine 433.07
    3-pentanone 428.28
    furfural 317.5
    n-dodecane 8.22
    diethylene glycol 77.32
    diisopropyl ether 129.97
    tert-amyl alcohol 163.85
    acetylacetone 555.21
    n-hexadecane 9.79
    acetophenone 240.48
    methyl propionate 422.31
    isopentyl acetate 421.78
    trichloroethylene 926.1
    n-nonanol 66.52
    cyclohexanol 149.45
    benzyl alcohol 124.93
    2-ethylhexanol 95.07
    isooctanol 75.7
    dipropyl ether 308.28
    1,2-dichlorobenzene 195.31
    ethyl lactate 102.88
    propylene carbonate 368.17
    n-methylformamide 157.96
    2-pentanol 143.55
    n-pentane 26.13
    1-propoxy-2-propanol 208.47
    1-methoxy-2-propyl acetate 410.91
    2-(2-methoxypropoxy) propanol 163.72
    mesitylene 46.11
    ε-caprolactone 593.54
    p-cymene 53.28
    epichlorohydrin 880.49
    1,1,1-trichloroethane 464.7
    2-aminoethanol 37.06
    morpholine-4-carbaldehyde 385.65
    sulfolane 483.44
    2,2,4-trimethylpentane 17.41
    2-methyltetrahydrofuran 803.34
    n-hexyl acetate 320.98
    isooctane 10.97
    2-(2-butoxyethoxy)ethanol 249.4
    sec-butyl acetate 329.61
    tert-butyl acetate 382.43
    decalin 23.94
    glycerin 24.19
    diglyme 673.4
    acrylic acid 71.59
    isopropyl myristate 115.62
    n-butyric acid 335.66
    acetyl acetate 231.06
    di(2-ethylhexyl) phthalate 78.85
    ethyl propionate 355.8
    nitromethane 278.44
    1,2-diethoxyethane 704.51
    benzonitrile 108.66
    trioctyl phosphate 59.73
    1-bromopropane 431.16
    gamma-valerolactone 847.56
    n-decanol 46.76
    triethyl phosphate 131.38
    4-methyl-2-pentanol 91.62
    propionitrile 121.13
    vinylene carbonate 274.16
    1,1,2-trichlorotrifluoroethane 291.72
    DMS 250.57
    cumene 69.23
    2-octanol 59.12
    2-hexanone 422.1
    octyl acetate 139.37
    limonene 89.66
    1,2-dimethoxyethane 772.35
    ethyl orthosilicate 149.74
    tributyl phosphate 93.98
    diacetone alcohol 260.49
    N,N-dimethylaniline 147.87
    acrylonitrile 107.84
    aniline 142.32
    1,3-propanediol 97.06
    bromobenzene 230.79
    dibromomethane 555.07
    1,1,2,2-tetrachloroethane 745.27
    2-methyl-cyclohexyl acetate 236.01
    tetrabutyl urea 132.15
    diisobutyl methanol 64.45
    2-phenylethanol 111.82
    styrene 119.61
    dioctyl adipate 165.27
    dimethyl sulfate 205.48
    ethyl butyrate 334.68
    methyl lactate 92.26
    butyl lactate 173.04
    diethyl carbonate 192.43
    propanediol butyl ether 98.76
    triethyl orthoformate 246.23
    p-tert-butyltoluene 48.81
    methyl 4-tert-butylbenzoate 180.77
    morpholine 631.31
    tert-butylamine 82.55
    n-dodecanol 36.1
    dimethoxymethane 672.47
    ethylene carbonate 276.55
    cyrene 128.66
    2-ethoxyethyl acetate 516.97
    2-ethylhexyl acetate 334.74
    1,2,4-trichlorobenzene 211.76
    4-methylpyridine 394.65
    dibutyl ether 254.57
    2,6-dimethyl-4-heptanol 64.45
    DEF 510.06
    dimethyl isosorbide 338.21
    tetrachloroethylene 478.75
    eugenol 146.18
    triacetin 282.25
    span 80 126.3
    1,4-butanediol 37.06
    1,1-dichloroethane 522.02
    2-methyl-1-pentanol 172.98
    methyl formate 134.89
    2-methyl-1-butanol 210.36
    n-decane 17.08
    butyronitrile 171.89
    3,7-dimethyl-1-octanol 80.9
    1-chlorooctane 77.12
    1-chlorotetradecane 27.11
    n-nonane 15.93
    undecane 11.02
    tert-butylcyclohexane 22.92
    cyclooctane 12.81
    cyclopentanol 143.01
    tetrahydropyran 777.99
    tert-amyl methyl ether 279.94
    2,5,8-trioxanonane 330.62
    1-hexene 155.57
    2-isopropoxyethanol 230.48
    2,2,2-trifluoroethanol 47.86
    methyl butyrate 468.17

    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