3,3',5-Trichlorobiphenyl

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  • Identifiers

    CAS number
    38444-87-0

    Molecular formula
    C12H7Cl3

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

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 64.27%
    Animal 41.91%
    Woody 37.91%
    Fruity 35.51%
    Rose 33.37%
    Phenolic 30.79%
    Sweet 28.54%
    Dry 25.6%
    Honey 24.62%
    Leathery 23.89%

     

    Flavor
    Bitter 45.6%
    Very strong 21.15%
    Indole 20.73%
    Nitrile 20.65%
    Mild 20.27%
    Moth ball 19.5%
    Flat 19.43%
    Naphthelene 19.17%
    Rotten 19.06%
    Orange flower 19.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    7.85 (neutral)

    Molecular weight
    257.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 725 to 788 °F at 760 mmHg (NTP, 1992)
    • Distillation range: 323-356 °C at 760 mm

    Flash point

    • 155.28 ˚C est.
    • 286 °F (NTP, 1992)

    Solubility expt.

    • Solubility in water varies because Aroclors are variable mixtures.
    • IN WATER: 906 PPB
    • In water: 0.085 ppm
    • Water solubility at 25 °C: 225-250 ug/L
    • In water, 0.42 mg/L at 25 °C

  • Synonyms

    • AROCLOR 1016
    • 3,3',5-TRICHLOROBIPHENYL
    • 38444-87-0
    • 12674-11-2
    • Arochlor 1016
    • PCB 36
    • 1,1'-Biphenyl, 3,3',5-trichloro-
    • 1,3-dichloro-5-(3-chlorophenyl)benzene
    • UNII-D998089L9E
    • 3,3',5-Trichloro-1,1'-biphenyl
    • D998089L9E
    • DTXSID50858937
    • aroclor-1016
    • Chlorodiphenyl (41% Cl)
    • Pcb-1016
    • CCRIS 8481
    • HSDB 6352
    • DSSTox_CID_3883
    • 3,3',5-Trichlor-biphenyl
    • DSSTox_RID_77218
    • DSSTox_GSID_23883
    • DTXCID503883
    • SCHEMBL4453361
    • CHEMBL3183220
    • Tox21_202248
    • NCGC00249197-01
    • NCGC00259797-01
    • CAS-12674-11-2
    • NS00077062
    • Q26841232

  • Applications

    3,3',5-Trichlorobiphenyl (CAS 38444-87-0) has historically been used as a dielectric insulating fluid in electrical equipment such as transformers and capacitors, as a heat transfer fluid in industrial systems, and as a component in lubricants and hydraulic fluids for machinery. It has also been employed as a plasticizer or additive in certain polymers and coatings, contributing to legacy formulations. In current practice, use is highly restricted and primarily found in older equipment; handling and disposal are governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.77
    methanol 3.1
    isopropanol 4.66
    water 0.0
    ethyl acetate 33.55
    n-propanol 8.83
    acetone 34.32
    n-butanol 9.07
    acetonitrile 11.98
    DMF 51.92
    toluene 62.35
    isobutanol 6.37
    1,4-dioxane 87.89
    methyl acetate 33.86
    THF 168.69
    2-butanone 51.51
    n-pentanol 9.22
    sec-butanol 8.38
    n-hexane 0.91
    ethylene glycol 1.42
    NMP 68.44
    cyclohexane 1.16
    DMSO 27.19
    n-butyl acetate 47.48
    n-octanol 8.63
    chloroform 103.22
    n-propyl acetate 34.5
    acetic acid 9.37
    dichloromethane 87.64
    cyclohexanone 68.65
    propylene glycol 3.31
    isopropyl acetate 27.36
    DMAc 86.06
    2-ethoxyethanol 24.98
    isopentanol 9.6
    n-heptane 2.31
    ethyl formate 17.72
    1,2-dichloroethane 53.92
    n-hexanol 13.74
    2-methoxyethanol 27.57
    isobutyl acetate 28.8
    tetrachloromethane 8.54
    n-pentyl acetate 31.03
    transcutol 116.6
    n-heptanol 9.57
    ethylbenzene 34.31
    MIBK 29.24
    2-propoxyethanol 41.8
    tert-butanol 7.26
    MTBE 21.84
    2-butoxyethanol 26.86
    propionic acid 9.5
    o-xylene 29.1
    formic acid 2.03
    diethyl ether 22.05
    m-xylene 31.38
    p-xylene 32.04
    chlorobenzene 51.28
    dimethyl carbonate 25.87
    n-octane 1.03
    formamide 5.78
    cyclopentanone 106.99
    2-pentanone 38.49
    anisole 97.25
    cyclopentyl methyl ether 58.0
    gamma-butyrolactone 90.6
    1-methoxy-2-propanol 23.31
    pyridine 121.77
    3-pentanone 34.24
    furfural 114.41
    n-dodecane 1.07
    diethylene glycol 20.5
    diisopropyl ether 9.87
    tert-amyl alcohol 10.88
    acetylacetone 60.68
    n-hexadecane 1.35
    acetophenone 73.46
    methyl propionate 34.46
    isopentyl acetate 50.37
    trichloroethylene 187.34
    n-nonanol 9.22
    cyclohexanol 12.62
    benzyl alcohol 37.41
    2-ethylhexanol 15.61
    isooctanol 9.73
    dipropyl ether 31.05
    1,2-dichlorobenzene 49.9
    ethyl lactate 17.78
    propylene carbonate 49.79
    n-methylformamide 14.47
    2-pentanol 7.41
    n-pentane 0.66
    1-propoxy-2-propanol 33.67
    1-methoxy-2-propyl acetate 70.04
    2-(2-methoxypropoxy) propanol 48.89
    mesitylene 17.52
    ε-caprolactone 70.66
    p-cymene 23.37
    epichlorohydrin 160.93
    1,1,1-trichloroethane 55.95
    2-aminoethanol 4.15
    morpholine-4-carbaldehyde 98.08
    sulfolane 78.74
    2,2,4-trimethylpentane 1.59
    2-methyltetrahydrofuran 85.8
    n-hexyl acetate 35.12
    isooctane 1.06
    2-(2-butoxyethoxy)ethanol 48.03
    sec-butyl acetate 31.09
    tert-butyl acetate 41.29
    decalin 3.17
    glycerin 6.33
    diglyme 119.25
    acrylic acid 11.14
    isopropyl myristate 19.68
    n-butyric acid 15.87
    acetyl acetate 30.74
    di(2-ethylhexyl) phthalate 22.66
    ethyl propionate 34.63
    nitromethane 31.78
    1,2-diethoxyethane 62.25
    benzonitrile 45.52
    trioctyl phosphate 12.04
    1-bromopropane 26.85
    gamma-valerolactone 139.61
    n-decanol 7.09
    triethyl phosphate 28.52
    4-methyl-2-pentanol 6.94
    propionitrile 15.55
    vinylene carbonate 49.96
    1,1,2-trichlorotrifluoroethane 92.04
    DMS 47.06
    cumene 20.67
    2-octanol 7.44
    2-hexanone 37.73
    octyl acetate 21.06
    limonene 25.88
    1,2-dimethoxyethane 70.64
    ethyl orthosilicate 28.08
    tributyl phosphate 16.02
    diacetone alcohol 35.21
    N,N-dimethylaniline 52.93
    acrylonitrile 24.17
    aniline 42.47
    1,3-propanediol 7.47
    bromobenzene 64.82
    dibromomethane 48.35
    1,1,2,2-tetrachloroethane 112.52
    2-methyl-cyclohexyl acetate 45.91
    tetrabutyl urea 23.9
    diisobutyl methanol 12.57
    2-phenylethanol 42.92
    styrene 43.87
    dioctyl adipate 33.9
    dimethyl sulfate 41.57
    ethyl butyrate 44.11
    methyl lactate 17.76
    butyl lactate 23.2
    diethyl carbonate 32.18
    propanediol butyl ether 21.0
    triethyl orthoformate 40.88
    p-tert-butyltoluene 22.88
    methyl 4-tert-butylbenzoate 50.85
    morpholine 83.66
    tert-butylamine 4.45
    n-dodecanol 5.67
    dimethoxymethane 50.09
    ethylene carbonate 32.77
    cyrene 53.14
    2-ethoxyethyl acetate 56.96
    2-ethylhexyl acetate 47.11
    1,2,4-trichlorobenzene 79.48
    4-methylpyridine 97.93
    dibutyl ether 21.2
    2,6-dimethyl-4-heptanol 12.57
    DEF 41.2
    dimethyl isosorbide 108.76
    tetrachloroethylene 61.89
    eugenol 50.39
    triacetin 49.14
    span 80 34.2
    1,4-butanediol 3.5
    1,1-dichloroethane 39.97
    2-methyl-1-pentanol 12.09
    methyl formate 15.46
    2-methyl-1-butanol 10.37
    n-decane 1.7
    butyronitrile 16.96
    3,7-dimethyl-1-octanol 12.08
    1-chlorooctane 10.19
    1-chlorotetradecane 4.64
    n-nonane 1.4
    undecane 1.32
    tert-butylcyclohexane 3.56
    cyclooctane 0.88
    cyclopentanol 15.49
    tetrahydropyran 62.62
    tert-amyl methyl ether 26.51
    2,5,8-trioxanonane 87.54
    1-hexene 7.19
    2-isopropoxyethanol 22.41
    2,2,2-trifluoroethanol 5.78
    methyl butyrate 39.14

    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