3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl

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  • Identifiers

    CAS number
    123132-69-4

    Molecular formula
    C20H26O3

    SMILES
    CC1=CC(=C(C=C1C2=CC(=C(C(=C2C)O)O)C(C)C)C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 77.1%
    Spicy 55.89%
    Smoky 54.16%
    Burnt 44.59%
    Medicinal 44.54%
    Woody 43.68%
    Leathery 38.1%
    Dry 31.12%
    Animal 25.29%
    Balsamic 22.99%

     

    Flavor
    Bitter 55.79%
    Phenolic 32.96%
    Medicinal 28.05%
    Camphor 27.99%
    Mild 23.43%
    Thymol 22.75%
    Creosote 22.34%
    Eugenol 21.96%
    Bland 21.38%
    Parsley 21.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    10.19 (weak base)

    Molecular weight
    314.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    732°C

    Melting point expt.

    • 75 °C

    Flash point

    • 201.63 ˚C est.

  • Synonyms

    • 3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
    • CHEBI:191765
    • DTXSID201166794
    • 123132-69-4
    • 2,2'-Dimethyl-5,5'-di(propan-2-yl)[1,1'-biphenyl]-3,4,4'-triol
    • 2,2a(2)-Dimethyl-5,5a(2)-bis(1-methylethyl)[1,1a(2)-biphenyl]-3,4,4a(2)-triol
    • 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylbenzene-1,2-diol
    • 4-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3-methyl-6-(propan-2-yl)benzene-1,2-diol
    • 123132-69-4

  • Applications

    3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl (CAS 123132-69-4) is a phenolic antioxidant/stabilizer used as an additive to prevent thermal and oxidative degradation in polymers and plastics during processing and service. Practical applications include: stabilizing polymers and plastics to enhance heat resistance and aging; protecting coatings and inks from discoloration and degradation; acting as an additive in lubricants to retard oxidation and extend oil life; functioning as a stabilizer in adhesive formulations; and potential use in cosmetics/personal care products as an antioxidant, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 267.96
    methanol 210.75
    isopropanol 209.08
    water 0.06
    ethyl acetate 197.91
    n-propanol 263.01
    acetone 281.85
    n-butanol 209.38
    acetonitrile 48.52
    DMF 630.72
    toluene 69.99
    isobutanol 154.92
    1,4-dioxane 435.45
    methyl acetate 183.7
    THF 851.92
    2-butanone 273.59
    n-pentanol 147.68
    sec-butanol 182.44
    n-hexane 12.96
    ethylene glycol 14.29
    NMP 325.0
    cyclohexane 11.27
    DMSO 284.2
    n-butyl acetate 186.14
    n-octanol 64.85
    chloroform 195.91
    n-propyl acetate 114.27
    acetic acid 104.04
    dichloromethane 177.96
    cyclohexanone 314.55
    propylene glycol 38.55
    isopropyl acetate 140.66
    DMAc 428.95
    2-ethoxyethanol 218.5
    isopentanol 146.29
    n-heptane 9.7
    ethyl formate 83.39
    1,2-dichloroethane 183.74
    n-hexanol 192.16
    2-methoxyethanol 378.24
    isobutyl acetate 90.13
    tetrachloromethane 25.87
    n-pentyl acetate 151.45
    transcutol 324.37
    n-heptanol 110.03
    ethylbenzene 45.72
    MIBK 130.34
    2-propoxyethanol 346.0
    tert-butanol 244.75
    MTBE 277.77
    2-butoxyethanol 201.68
    propionic acid 92.47
    o-xylene 44.52
    formic acid 26.08
    diethyl ether 313.94
    m-xylene 54.49
    p-xylene 55.58
    chlorobenzene 73.26
    dimethyl carbonate 84.33
    n-octane 6.76
    formamide 77.14
    cyclopentanone 431.21
    2-pentanone 228.17
    anisole 101.81
    cyclopentyl methyl ether 248.4
    gamma-butyrolactone 372.69
    1-methoxy-2-propanol 293.03
    pyridine 244.19
    3-pentanone 163.37
    furfural 187.86
    n-dodecane 3.84
    diethylene glycol 154.55
    diisopropyl ether 66.57
    tert-amyl alcohol 200.6
    acetylacetone 203.47
    n-hexadecane 4.54
    acetophenone 91.79
    methyl propionate 182.79
    isopentyl acetate 182.49
    trichloroethylene 284.23
    n-nonanol 64.27
    cyclohexanol 123.98
    benzyl alcohol 90.58
    2-ethylhexanol 89.11
    isooctanol 88.14
    dipropyl ether 114.8
    1,2-dichlorobenzene 64.92
    ethyl lactate 50.19
    propylene carbonate 138.22
    n-methylformamide 188.02
    2-pentanol 128.26
    n-pentane 11.25
    1-propoxy-2-propanol 208.55
    1-methoxy-2-propyl acetate 195.63
    2-(2-methoxypropoxy) propanol 97.76
    mesitylene 30.75
    ε-caprolactone 243.24
    p-cymene 33.51
    epichlorohydrin 438.7
    1,1,1-trichloroethane 116.33
    2-aminoethanol 64.67
    morpholine-4-carbaldehyde 325.59
    sulfolane 322.62
    2,2,4-trimethylpentane 8.19
    2-methyltetrahydrofuran 399.86
    n-hexyl acetate 144.83
    isooctane 6.6
    2-(2-butoxyethoxy)ethanol 173.3
    sec-butyl acetate 88.79
    tert-butyl acetate 179.29
    decalin 9.35
    glycerin 50.67
    diglyme 312.91
    acrylic acid 63.28
    isopropyl myristate 44.4
    n-butyric acid 159.11
    acetyl acetate 82.01
    di(2-ethylhexyl) phthalate 47.32
    ethyl propionate 95.66
    nitromethane 190.08
    1,2-diethoxyethane 192.27
    benzonitrile 61.45
    trioctyl phosphate 38.96
    1-bromopropane 106.98
    gamma-valerolactone 514.31
    n-decanol 45.61
    triethyl phosphate 44.21
    4-methyl-2-pentanol 70.64
    propionitrile 79.08
    vinylene carbonate 103.96
    1,1,2-trichlorotrifluoroethane 170.76
    DMS 97.3
    cumene 34.21
    2-octanol 74.37
    2-hexanone 138.15
    octyl acetate 64.4
    limonene 49.55
    1,2-dimethoxyethane 352.32
    ethyl orthosilicate 50.85
    tributyl phosphate 36.66
    diacetone alcohol 185.35
    N,N-dimethylaniline 78.74
    acrylonitrile 87.89
    aniline 100.21
    1,3-propanediol 146.86
    bromobenzene 66.49
    dibromomethane 123.78
    1,1,2,2-tetrachloroethane 230.16
    2-methyl-cyclohexyl acetate 89.2
    tetrabutyl urea 53.11
    diisobutyl methanol 49.31
    2-phenylethanol 133.15
    styrene 47.55
    dioctyl adipate 57.95
    dimethyl sulfate 115.05
    ethyl butyrate 94.98
    methyl lactate 69.91
    butyl lactate 89.71
    diethyl carbonate 53.01
    propanediol butyl ether 117.55
    triethyl orthoformate 77.23
    p-tert-butyltoluene 37.34
    methyl 4-tert-butylbenzoate 103.51
    morpholine 587.58
    tert-butylamine 121.22
    n-dodecanol 31.75
    dimethoxymethane 452.49
    ethylene carbonate 99.2
    cyrene 114.31
    2-ethoxyethyl acetate 196.89
    2-ethylhexyl acetate 137.01
    1,2,4-trichlorobenzene 76.92
    4-methylpyridine 203.2
    dibutyl ether 74.86
    2,6-dimethyl-4-heptanol 49.31
    DEF 250.33
    dimethyl isosorbide 199.36
    tetrachloroethylene 146.45
    eugenol 103.11
    triacetin 85.93
    span 80 98.68
    1,4-butanediol 46.74
    1,1-dichloroethane 129.12
    2-methyl-1-pentanol 127.54
    methyl formate 107.61
    2-methyl-1-butanol 151.46
    n-decane 7.98
    butyronitrile 86.49
    3,7-dimethyl-1-octanol 57.02
    1-chlorooctane 40.92
    1-chlorotetradecane 13.58
    n-nonane 7.17
    undecane 5.39
    tert-butylcyclohexane 10.84
    cyclooctane 4.72
    cyclopentanol 144.66
    tetrahydropyran 403.67
    tert-amyl methyl ether 173.51
    2,5,8-trioxanonane 171.11
    1-hexene 58.12
    2-isopropoxyethanol 157.19
    2,2,2-trifluoroethanol 32.67
    methyl butyrate 117.38

    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