1,1,1-Tris(4-hydroxyphenyl)ethane

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  • Identifiers

    CAS number
    27955-94-8

    Molecular formula
    C20H18O3

    SMILES
    CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 69.33%
    Medicinal 42.8%
    Animal 37.35%
    Spicy 34.21%
    Leathery 33.69%
    Smoky 32.95%
    Burnt 27.65%
    Woody 27.3%
    Fruity 23.88%
    Balsamic 23.47%

     

    Flavor
    Bitter 55.0%
    Phenolic 32.98%
    Medicinal 26.29%
    Creosote 20.89%
    Very strong 20.34%
    Camphor 20.11%
    Indole 20.09%
    Flat 20.0%
    Nitrile 19.65%
    Thymol 19.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    9.99 (weak base)

    Molecular weight
    306.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    465°C

    Flash point

    • 239.35 ˚C est.

  • Synonyms

    • 1,1,1-Tris(4-hydroxyphenyl)ethane
    • 27955-94-8
    • Phenol, 4,4',4''-ethylidynetris-
    • Tris(4-hydroxyphenyl)ethane
    • 4,4',4''-Ethylidynetrisphenol
    • Phenol, 4,4',4''-ethylidynetri-
    • DTXSID2037712
    • 4,4',4''-Ethane-1,1,1-triyltriphenol
    • TRISP-HAP
    • 25K43J16E2
    • 4,4',4''-(ethan-1,1,1-triyl)triphenol
    • DTXCID0017712
    • EC 405-800-7
    • 1,1,1-(TRIS(P-HYDROXYPHENYL))ETHANE
    • RefChem:409519
    • Tris(phydroxyphenyl)ethane
    • Tris(4hydroxyphenyl)ethane
    • Tris(parahydroxyphenyl)ethane
    • 4,4',4''Ethylidynetrisphenol
    • 1,1,1Tris(phydroxyphenyl)ethane
    • Phenol, 4,4',4''ethylidynetri
    • Phenol, 4,4',4''ethylidynetris
    • 4,4',4''(Ethan1,1,1triyl)triphenol
    • Phenol, 4,4',4''ethylidynetri (8CI)
    • Phenol, 4,4',4''-ethylidynetri-(8CI)
    • 405-800-7
    • 608-155-1
    • 4,4',4''-(ethane-1,1,1-triyl)triphenol
    • 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol
    • MFCD00012180
    • 4,4',4"-Ethane-1,1,1-triyltriphenol
    • UNII-25K43J16E2
    • 4,4',4"-(Ethylidene)trisphenol
    • SCHEMBL18750
    • triphenylmethane derivative, 7
    • CHEMBL491936
    • SCHEMBL3478499
    • BDBM29335
    • BP_12
    • 1,1,1tris(4-hydroxy-phenyl)ethane
    • Tox21_300402
    • 1,1,1-tri-(4-hydroxyphenyl)ethane
    • MSK002098
    • SBB006476
    • 1,1,1 tris(4-hydroxy-phenyl)ethane
    • 1,1,1-tris(4'-hydroxyphenyl)ethane
    • 1,1,1-tris(4-hydroxy phenyl)ethane
    • 1,1,1-tris(4-hydroxyphenyl) ethane
    • 1,1,1-tri-(4-hydroxyphenyl)-ethane
    • AKOS015856425
    • 1,1,1 -tris(4'-hydroxyphenyl)ethane
    • 1,1,1 tris(4-hydroxy-phenyl) ethane
    • 1,1,1-tris-(4-hydroxyphenyl)-ethane
    • 1,1,1 tris (4-hydroxy-phenyl) ethane
    • 1,1,1-tris-(4'-hydroxyphenyl)-ethane
    • NCGC00164142-01
    • NCGC00164142-02
    • NCGC00254528-01
    • AC-24003
    • AS-15139
    • ST057203
    • 1,1,1-Tris(4-hydroxyphenyl)ethane, 99%
    • CAS-27955-94-8
    • 4,4',4''-(1,1,1-Ethanetriyl)triphenol
    • CS-0132357
    • NS00019386
    • T1254
    • D78151
    • F242592
    • Q24849250
    • 1,1,1-Tris(4-hydroxyphenyl)ethane 100 microg/mL in Acetonitrile
    • 27955-94-8

  • Applications

    1,1,1-Tris(4-hydroxyphenyl)ethane (CAS 27955-94-8) is a polyphenolic compound with three phenolic groups that serves as a functional building block in a range of formulations. Real-world applications include: polymer stabilization as an antioxidant and heat stabilizer for plastics and polymers to prevent thermo-oxidative degradation during processing and use; UV stabilization in coatings, paints, and inks to improve weathering resistance; acting as a crosslinking or reactive-building component in epoxy and polyurethane formulations to enhance network formation; use as an intermediate or building block in the synthesis of specialty polymers and resins; and potential use in cosmetic/personal care formulations as an antioxidant or stabilizer, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.59
    methanol 20.11
    isopropanol 4.8
    water 0.09
    ethyl acetate 21.29
    n-propanol 13.24
    acetone 30.44
    n-butanol 6.55
    acetonitrile 12.72
    DMF 164.82
    toluene 2.43
    isobutanol 4.1
    1,4-dioxane 45.43
    methyl acetate 31.95
    THF 241.6
    2-butanone 45.07
    n-pentanol 4.96
    sec-butanol 7.3
    n-hexane 0.1
    ethylene glycol 5.0
    NMP 62.38
    cyclohexane 0.1
    DMSO 180.74
    n-butyl acetate 13.38
    n-octanol 2.81
    chloroform 6.62
    n-propyl acetate 11.99
    acetic acid 14.03
    dichloromethane 5.53
    cyclohexanone 29.57
    propylene glycol 9.68
    isopropyl acetate 15.83
    DMAc 195.46
    2-ethoxyethanol 35.17
    isopentanol 4.84
    n-heptane 0.28
    ethyl formate 11.05
    1,2-dichloroethane 8.74
    n-hexanol 5.89
    2-methoxyethanol 62.73
    isobutyl acetate 6.48
    tetrachloromethane 1.25
    n-pentyl acetate 9.52
    transcutol 77.91
    n-heptanol 4.6
    ethylbenzene 2.31
    MIBK 12.28
    2-propoxyethanol 40.42
    tert-butanol 9.98
    MTBE 18.83
    2-butoxyethanol 20.18
    propionic acid 14.86
    o-xylene 2.53
    formic acid 12.25
    diethyl ether 15.69
    m-xylene 1.95
    p-xylene 2.3
    chlorobenzene 3.34
    dimethyl carbonate 30.46
    n-octane 0.17
    formamide 72.3
    cyclopentanone 101.35
    2-pentanone 21.27
    anisole 19.24
    cyclopentyl methyl ether 24.52
    gamma-butyrolactone 112.92
    1-methoxy-2-propanol 44.36
    pyridine 26.17
    3-pentanone 21.84
    furfural 60.19
    n-dodecane 0.17
    diethylene glycol 28.16
    diisopropyl ether 3.6
    tert-amyl alcohol 11.72
    acetylacetone 42.62
    n-hexadecane 0.2
    acetophenone 17.36
    methyl propionate 32.56
    isopentyl acetate 14.1
    trichloroethylene 22.72
    n-nonanol 3.43
    cyclohexanol 3.88
    benzyl alcohol 9.51
    2-ethylhexanol 4.64
    isooctanol 4.0
    dipropyl ether 13.83
    1,2-dichlorobenzene 5.3
    ethyl lactate 12.35
    propylene carbonate 26.29
    n-methylformamide 64.08
    2-pentanol 3.96
    n-pentane 0.08
    1-propoxy-2-propanol 25.72
    1-methoxy-2-propyl acetate 35.24
    2-(2-methoxypropoxy) propanol 24.4
    mesitylene 1.55
    ε-caprolactone 29.41
    p-cymene 3.09
    epichlorohydrin 110.69
    1,1,1-trichloroethane 6.29
    2-aminoethanol 14.63
    morpholine-4-carbaldehyde 88.52
    sulfolane 138.09
    2,2,4-trimethylpentane 0.28
    2-methyltetrahydrofuran 46.06
    n-hexyl acetate 10.1
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 29.98
    sec-butyl acetate 9.9
    tert-butyl acetate 26.86
    decalin 0.28
    glycerin 20.39
    diglyme 74.96
    acrylic acid 15.38
    isopropyl myristate 5.32
    n-butyric acid 12.72
    acetyl acetate 14.08
    di(2-ethylhexyl) phthalate 6.33
    ethyl propionate 15.74
    nitromethane 82.17
    1,2-diethoxyethane 26.87
    benzonitrile 6.53
    trioctyl phosphate 4.43
    1-bromopropane 2.6
    gamma-valerolactone 119.09
    n-decanol 2.54
    triethyl phosphate 12.83
    4-methyl-2-pentanol 3.1
    propionitrile 12.67
    vinylene carbonate 22.16
    1,1,2-trichlorotrifluoroethane 63.72
    DMS 21.02
    cumene 1.98
    2-octanol 2.57
    2-hexanone 12.25
    octyl acetate 6.09
    limonene 3.5
    1,2-dimethoxyethane 76.24
    ethyl orthosilicate 12.64
    tributyl phosphate 5.73
    diacetone alcohol 31.1
    N,N-dimethylaniline 12.07
    acrylonitrile 21.42
    aniline 7.64
    1,3-propanediol 15.13
    bromobenzene 2.77
    dibromomethane 2.37
    1,1,2,2-tetrachloroethane 22.34
    2-methyl-cyclohexyl acetate 12.72
    tetrabutyl urea 8.33
    diisobutyl methanol 4.11
    2-phenylethanol 11.39
    styrene 2.44
    dioctyl adipate 10.18
    dimethyl sulfate 68.51
    ethyl butyrate 14.53
    methyl lactate 25.52
    butyl lactate 11.76
    diethyl carbonate 12.49
    propanediol butyl ether 13.69
    triethyl orthoformate 16.68
    p-tert-butyltoluene 3.39
    methyl 4-tert-butylbenzoate 20.16
    morpholine 65.32
    tert-butylamine 4.22
    n-dodecanol 1.89
    dimethoxymethane 100.43
    ethylene carbonate 16.6
    cyrene 28.15
    2-ethoxyethyl acetate 22.75
    2-ethylhexyl acetate 11.04
    1,2,4-trichlorobenzene 8.77
    4-methylpyridine 13.62
    dibutyl ether 6.35
    2,6-dimethyl-4-heptanol 4.11
    DEF 33.71
    dimethyl isosorbide 58.08
    tetrachloroethylene 12.36
    eugenol 20.05
    triacetin 19.52
    span 80 15.1
    1,4-butanediol 4.47
    1,1-dichloroethane 3.62
    2-methyl-1-pentanol 5.04
    methyl formate 38.16
    2-methyl-1-butanol 5.44
    n-decane 0.29
    butyronitrile 6.5
    3,7-dimethyl-1-octanol 3.54
    1-chlorooctane 1.64
    1-chlorotetradecane 0.73
    n-nonane 0.21
    undecane 0.21
    tert-butylcyclohexane 0.34
    cyclooctane 0.07
    cyclopentanol 7.89
    tetrahydropyran 26.67
    tert-amyl methyl ether 15.93
    2,5,8-trioxanonane 49.12
    1-hexene 0.77
    2-isopropoxyethanol 19.9
    2,2,2-trifluoroethanol 9.41
    methyl butyrate 16.54

    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