Phenol, 4,4'-(1-methylethylidene)bis[2,3,5,6-tetrachloro-

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  • Identifiers

    CAS number
    16669-42-4

    Molecular formula
    C15H8Cl8O2

    SMILES
    CC(C)(C1=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)O)Cl)Cl

  • Odor profile

    Fragrance
    Odorless 41.21%
    Phenolic 34.92%
    Burnt 28.71%
    Dry 24.34%
    Woody 22.56%
    Musk 22.43%
    Smoky 20.73%
    Animal 19.94%
    Spicy 17.64%
    Powdery 16.87%

     

    Flavor
    Bitter 70.63%
    Odorless 33.66%
    Bland 24.63%
    Mild 22.7%
    Sweet-like 21.21%
    Very strong 19.74%
    Nitrile 19.66%
    Indole 19.24%
    Soybean 19.22%
    Scallion 19.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    8.15 (weak base)

    Molecular weight
    503.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    648°C

    Flash point

    • 189.57 ˚C est.

  • Synonyms

    • 16669-42-4
    • Isopropylidene bis-tetrachlorophenol
    • Phenol, 4,4'-(1-methylethylidene)bis[2,3,5,6-tetrachloro-
    • 2,3,5,6-tetrachloro-4-[2-(2,3,5,6-tetrachloro-4-hydroxyphenyl)propan-2-yl]phenol
    • DTXSID9066095
    • Phenol, 4,4'-(1-methylethylidene)bis(2,3,5,6-tetrachloro-
    • 4,4'-propane-2,2-diylbis(tetrachlorophenol)
    • FEW7W5YD6E
    • SCHEMBL112121
    • 4,4'-Isopropylidenebis[2,3,5,6-tetrachlorophenol]
    • DTXCID3035349
    • FEMA 2171
    • CHEBI:177522
    • OJTHLNYBRBMCBW-UHFFFAOYSA-N
    • 4,4'-(1-Methylethylidene)bis(2,3,5,6-tetrachloro-Phenol
    • 4,4'-(1-Methylethylidene)bis[2,3,5,6-tetrachlorophenol]
    • 2,3,5,6-Tetrakis(chloranyl)-4-(2-(2,3,5,6-tetrakis(chloranyl)-4-oxidanyl-phenyl)propan-2-yl)phenol

  • Applications

    Phenol, 4,4'-(1-methylethylidene)bis[2,3,5,6-tetrachloro- CAS 16669-42-4 is primarily used as a chemical intermediate in the synthesis of halogenated phenolic resins and specialty epoxy/adhesive systems; it can act as a flame-retardant additive in polymers and coatings; it is used in wood-protection formulations as a biocide/preservative; it serves as a building block for halogenated resins and pigment/dye precursors; and it is relevant as a reactive monomer in coatings and inks formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.61
    methanol 1.42
    isopropanol 1.92
    water 0.0
    ethyl acetate 5.17
    n-propanol 3.21
    acetone 4.84
    n-butanol 3.04
    acetonitrile 1.47
    DMF 22.53
    toluene 8.1
    isobutanol 2.54
    1,4-dioxane 11.85
    methyl acetate 4.03
    THF 72.9
    2-butanone 7.59
    n-pentanol 4.12
    sec-butanol 2.83
    n-hexane 0.5
    ethylene glycol 0.91
    NMP 42.39
    cyclohexane 0.42
    DMSO 7.86
    n-butyl acetate 11.44
    n-octanol 5.47
    chloroform 11.15
    n-propyl acetate 6.87
    acetic acid 2.08
    dichloromethane 9.38
    cyclohexanone 15.23
    propylene glycol 1.72
    isopropyl acetate 5.58
    DMAc 24.03
    2-ethoxyethanol 9.16
    isopentanol 2.98
    n-heptane 1.48
    ethyl formate 3.65
    1,2-dichloroethane 5.94
    n-hexanol 6.84
    2-methoxyethanol 12.21
    isobutyl acetate 5.96
    tetrachloromethane 1.14
    n-pentyl acetate 14.53
    transcutol 16.73
    n-heptanol 6.42
    ethylbenzene 5.14
    MIBK 7.01
    2-propoxyethanol 19.65
    tert-butanol 2.71
    MTBE 5.02
    2-butoxyethanol 14.87
    propionic acid 2.1
    o-xylene 4.6
    formic acid 1.1
    diethyl ether 4.93
    m-xylene 6.32
    p-xylene 5.31
    chlorobenzene 6.49
    dimethyl carbonate 5.5
    n-octane 1.0
    formamide 2.59
    cyclopentanone 33.47
    2-pentanone 8.34
    anisole 11.18
    cyclopentyl methyl ether 22.8
    gamma-butyrolactone 30.74
    1-methoxy-2-propanol 11.66
    pyridine 23.09
    3-pentanone 6.25
    furfural 28.8
    n-dodecane 0.75
    diethylene glycol 9.39
    diisopropyl ether 2.26
    tert-amyl alcohol 3.82
    acetylacetone 9.95
    n-hexadecane 0.89
    acetophenone 11.94
    methyl propionate 7.37
    isopentyl acetate 11.46
    trichloroethylene 18.67
    n-nonanol 6.26
    cyclohexanol 4.21
    benzyl alcohol 8.86
    2-ethylhexanol 7.14
    isooctanol 5.98
    dipropyl ether 10.79
    1,2-dichlorobenzene 6.08
    ethyl lactate 5.29
    propylene carbonate 13.09
    n-methylformamide 6.42
    2-pentanol 2.76
    n-pentane 0.4
    1-propoxy-2-propanol 17.32
    1-methoxy-2-propyl acetate 19.2
    2-(2-methoxypropoxy) propanol 12.92
    mesitylene 3.23
    ε-caprolactone 16.98
    p-cymene 7.2
    epichlorohydrin 36.58
    1,1,1-trichloroethane 4.99
    2-aminoethanol 2.28
    morpholine-4-carbaldehyde 34.14
    sulfolane 33.01
    2,2,4-trimethylpentane 0.53
    2-methyltetrahydrofuran 26.0
    n-hexyl acetate 12.7
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 15.71
    sec-butyl acetate 5.91
    tert-butyl acetate 8.79
    decalin 0.75
    glycerin 3.34
    diglyme 23.31
    acrylic acid 2.45
    isopropyl myristate 6.98
    n-butyric acid 3.61
    acetyl acetate 3.25
    di(2-ethylhexyl) phthalate 7.8
    ethyl propionate 6.48
    nitromethane 5.07
    1,2-diethoxyethane 12.8
    benzonitrile 8.78
    trioctyl phosphate 6.27
    1-bromopropane 4.82
    gamma-valerolactone 40.32
    n-decanol 4.89
    triethyl phosphate 5.43
    4-methyl-2-pentanol 2.49
    propionitrile 2.95
    vinylene carbonate 9.9
    1,1,2-trichlorotrifluoroethane 22.53
    DMS 9.75
    cumene 4.05
    2-octanol 5.83
    2-hexanone 8.98
    octyl acetate 8.43
    limonene 8.02
    1,2-dimethoxyethane 17.56
    ethyl orthosilicate 6.05
    tributyl phosphate 5.56
    diacetone alcohol 11.02
    N,N-dimethylaniline 11.64
    acrylonitrile 4.69
    aniline 7.89
    1,3-propanediol 3.22
    bromobenzene 7.62
    dibromomethane 6.34
    1,1,2,2-tetrachloroethane 13.09
    2-methyl-cyclohexyl acetate 11.51
    tetrabutyl urea 11.69
    diisobutyl methanol 4.81
    2-phenylethanol 13.18
    styrene 5.1
    dioctyl adipate 9.66
    dimethyl sulfate 9.89
    ethyl butyrate 9.22
    methyl lactate 6.64
    butyl lactate 12.3
    diethyl carbonate 4.78
    propanediol butyl ether 10.92
    triethyl orthoformate 8.98
    p-tert-butyltoluene 7.46
    methyl 4-tert-butylbenzoate 17.55
    morpholine 20.76
    tert-butylamine 1.79
    n-dodecanol 3.65
    dimethoxymethane 19.46
    ethylene carbonate 6.5
    cyrene 19.66
    2-ethoxyethyl acetate 17.79
    2-ethylhexyl acetate 11.25
    1,2,4-trichlorobenzene 9.6
    4-methylpyridine 17.39
    dibutyl ether 7.45
    2,6-dimethyl-4-heptanol 4.81
    DEF 13.79
    dimethyl isosorbide 36.95
    tetrachloroethylene 7.33
    eugenol 19.26
    triacetin 10.73
    span 80 12.37
    1,4-butanediol 1.92
    1,1-dichloroethane 4.34
    2-methyl-1-pentanol 4.28
    methyl formate 5.43
    2-methyl-1-butanol 3.32
    n-decane 1.32
    butyronitrile 3.64
    3,7-dimethyl-1-octanol 5.81
    1-chlorooctane 4.48
    1-chlorotetradecane 2.05
    n-nonane 1.11
    undecane 0.98
    tert-butylcyclohexane 0.95
    cyclooctane 0.35
    cyclopentanol 7.78
    tetrahydropyran 12.75
    tert-amyl methyl ether 7.25
    2,5,8-trioxanonane 18.38
    1-hexene 2.46
    2-isopropoxyethanol 7.48
    2,2,2-trifluoroethanol 1.14
    methyl butyrate 7.94

    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