2,2',3,4'-Tetrachlorobiphenyl

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  • Identifiers

    CAS number
    36559-22-5

    Molecular formula
    C12H6Cl4

    SMILES
    C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl

  • Odor profile

    Fragrance
    Floral 36.46%
    Animal 34.82%
    Phenolic 31.25%
    Fruity 29.26%
    Sweet 25.27%
    Musk 24.56%
    Burnt 23.15%
    Odorless 23.07%
    Woody 22.23%
    Dry 21.88%

     

    Flavor
    Bitter 57.17%
    Odorless 24.3%
    Very strong 21.19%
    Mild 20.98%
    Indole 20.57%
    Nitrile 20.26%
    Rotten 19.17%
    Scallion 19.02%
    Orange flower 19.01%
    Moth ball 18.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    7.62 (neutral)

    Molecular weight
    292.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    368°C

    Flash point

    • 154.61 ˚C est.

  • Synonyms

    • 2,2',3,4'-Tetrachlorobiphenyl
    • 36559-22-5
    • UNII-58XQ77HLDT
    • 1,1'-Biphenyl, 2,2',3,4'-tetrachloro-
    • 1,2-dichloro-3-(2,4-dichlorophenyl)benzene
    • 58XQ77HLDT
    • PCB 42
    • 2,2',3,4'-Tetrachloro-1,1'-biphenyl
    • AROCLOR 1242, 1X1ML, ISO, 1UG/ML
    • SCHEMBL4449749
    • DTXSID80873557
    • LBA55922
    • 1,1'-Biphenyl, 2,2',3',4-tetrachloro
    • 2,2',3,4'-Tetrachloro-1,1'-biphenyl #
    • CS-0451739
    • NS00077119
    • Q27261626
    • 1,1'-Biphenyl, 2,2',3,4'-tetrachloro-; 2,2',3,4'-Tetrachloro-1,1'-biphenyl; 2,2',3,4'-Tetrachlorobiphenyl; 2,2',3',4-Tetrachlorobiphenyl; PCB 42; 2,2',3,4'-TetraCB

  • Applications

    2,2',3,4'-Tetrachlorobiphenyl (CAS 36559-22-5) is a PCB congener whose real-world applications are largely historical and subject to regulatory controls in modern practice. It has been used as a dielectric insulating fluid in electrical equipment such as transformers and capacitors, and as a heat transfer or cooling fluid in industrial machinery. It has also appeared as a legacy insulating oil or lubricant in electrical and mechanical systems. Because it is a PCB member, it may be found in older plastics, coatings and sealants as an historical additive for flame retardancy or plasticization. Today, active use is restricted; it is often encountered as a legacy contaminant and may serve as a reference material or analytical standard in environmental monitoring and PCB congener analysis, under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.27
    methanol 16.07
    isopropanol 17.73
    water 0.0
    ethyl acetate 132.27
    n-propanol 30.28
    acetone 174.02
    n-butanol 33.32
    acetonitrile 28.28
    DMF 186.06
    toluene 236.47
    isobutanol 21.78
    1,4-dioxane 226.72
    methyl acetate 112.18
    THF 525.93
    2-butanone 167.08
    n-pentanol 42.55
    sec-butanol 28.33
    n-hexane 6.17
    ethylene glycol 3.29
    NMP 181.92
    cyclohexane 8.96
    DMSO 63.46
    n-butyl acetate 194.55
    n-octanol 37.0
    chloroform 377.97
    n-propyl acetate 140.55
    acetic acid 29.9
    dichloromethane 388.13
    cyclohexanone 242.21
    propylene glycol 6.97
    isopropyl acetate 95.54
    DMAc 207.7
    2-ethoxyethanol 87.81
    isopentanol 32.06
    n-heptane 25.67
    ethyl formate 78.76
    1,2-dichloroethane 184.17
    n-hexanol 58.71
    2-methoxyethanol 89.14
    isobutyl acetate 98.78
    tetrachloromethane 30.82
    n-pentyl acetate 140.61
    transcutol 323.77
    n-heptanol 38.35
    ethylbenzene 113.84
    MIBK 97.37
    2-propoxyethanol 116.35
    tert-butanol 26.25
    MTBE 75.66
    2-butoxyethanol 75.01
    propionic acid 23.09
    o-xylene 96.72
    formic acid 6.17
    diethyl ether 84.79
    m-xylene 114.72
    p-xylene 110.37
    chlorobenzene 171.0
    dimethyl carbonate 79.31
    n-octane 12.95
    formamide 19.86
    cyclopentanone 319.52
    2-pentanone 149.54
    anisole 233.44
    cyclopentyl methyl ether 181.98
    gamma-butyrolactone 247.89
    1-methoxy-2-propanol 65.82
    pyridine 339.88
    3-pentanone 116.13
    furfural 300.15
    n-dodecane 9.91
    diethylene glycol 51.66
    diisopropyl ether 39.35
    tert-amyl alcohol 33.58
    acetylacetone 214.41
    n-hexadecane 11.86
    acetophenone 206.96
    methyl propionate 109.24
    isopentyl acetate 167.97
    trichloroethylene 584.59
    n-nonanol 40.8
    cyclohexanol 48.13
    benzyl alcohol 122.14
    2-ethylhexanol 65.2
    isooctanol 37.91
    dipropyl ether 127.05
    1,2-dichlorobenzene 141.5
    ethyl lactate 46.41
    propylene carbonate 142.53
    n-methylformamide 53.52
    2-pentanol 27.91
    n-pentane 5.57
    1-propoxy-2-propanol 103.39
    1-methoxy-2-propyl acetate 207.5
    2-(2-methoxypropoxy) propanol 106.87
    mesitylene 61.23
    ε-caprolactone 209.6
    p-cymene 85.18
    epichlorohydrin 380.43
    1,1,1-trichloroethane 177.54
    2-aminoethanol 10.17
    morpholine-4-carbaldehyde 245.75
    sulfolane 177.14
    2,2,4-trimethylpentane 7.78
    2-methyltetrahydrofuran 242.19
    n-hexyl acetate 130.44
    isooctane 7.15
    2-(2-butoxyethoxy)ethanol 128.14
    sec-butyl acetate 105.02
    tert-butyl acetate 125.18
    decalin 15.96
    glycerin 10.95
    diglyme 282.48
    acrylic acid 24.55
    isopropyl myristate 76.2
    n-butyric acid 52.24
    acetyl acetate 96.54
    di(2-ethylhexyl) phthalate 70.71
    ethyl propionate 115.84
    nitromethane 87.64
    1,2-diethoxyethane 254.03
    benzonitrile 148.53
    trioctyl phosphate 43.37
    1-bromopropane 108.05
    gamma-valerolactone 390.23
    n-decanol 34.33
    triethyl phosphate 70.5
    4-methyl-2-pentanol 23.66
    propionitrile 36.78
    vinylene carbonate 156.07
    1,1,2-trichlorotrifluoroethane 173.93
    DMS 141.76
    cumene 64.61
    2-octanol 35.47
    2-hexanone 148.52
    octyl acetate 80.88
    limonene 106.39
    1,2-dimethoxyethane 251.0
    ethyl orthosilicate 72.43
    tributyl phosphate 57.52
    diacetone alcohol 101.44
    N,N-dimethylaniline 134.2
    acrylonitrile 56.71
    aniline 112.32
    1,3-propanediol 22.02
    bromobenzene 223.26
    dibromomethane 212.03
    1,1,2,2-tetrachloroethane 293.01
    2-methyl-cyclohexyl acetate 136.62
    tetrabutyl urea 92.09
    diisobutyl methanol 48.02
    2-phenylethanol 133.79
    styrene 144.57
    dioctyl adipate 107.03
    dimethyl sulfate 89.54
    ethyl butyrate 165.62
    methyl lactate 42.54
    butyl lactate 79.41
    diethyl carbonate 96.18
    propanediol butyl ether 54.95
    triethyl orthoformate 115.35
    p-tert-butyltoluene 81.84
    methyl 4-tert-butylbenzoate 141.74
    morpholine 221.08
    tert-butylamine 16.85
    n-dodecanol 29.83
    dimethoxymethane 189.68
    ethylene carbonate 102.86
    cyrene 134.35
    2-ethoxyethyl acetate 219.14
    2-ethylhexyl acetate 155.42
    1,2,4-trichlorobenzene 186.23
    4-methylpyridine 306.12
    dibutyl ether 105.06
    2,6-dimethyl-4-heptanol 48.02
    DEF 153.67
    dimethyl isosorbide 303.37
    tetrachloroethylene 177.78
    eugenol 142.87
    triacetin 140.95
    span 80 89.11
    1,4-butanediol 13.57
    1,1-dichloroethane 151.53
    2-methyl-1-pentanol 44.99
    methyl formate 64.15
    2-methyl-1-butanol 31.75
    n-decane 15.65
    butyronitrile 52.8
    3,7-dimethyl-1-octanol 50.1
    1-chlorooctane 52.76
    1-chlorotetradecane 27.15
    n-nonane 14.38
    undecane 12.08
    tert-butylcyclohexane 16.65
    cyclooctane 6.29
    cyclopentanol 52.14
    tetrahydropyran 208.63
    tert-amyl methyl ether 84.42
    2,5,8-trioxanonane 206.75
    1-hexene 38.6
    2-isopropoxyethanol 72.31
    2,2,2-trifluoroethanol 13.49
    methyl butyrate 145.56

    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