1,2,4-Benzenetriol

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  • Identifiers

    CAS number
    533-73-3

    Molecular formula
    C6H6O3

    SMILES
    C1=CC(=C(C=C1O)O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 77.32%
    Odorless 56.54%
    Burnt 46.83%
    Smoky 39.75%
    Medicinal 38.7%
    Spicy 26.71%
    Vanilla 21.18%
    Balsamic 20.57%
    Savory 19.13%
    Meaty 18.15%

     

    Flavor
    Bitter 61.77%
    Phenolic 58.59%
    Mild 35.29%
    Medical 31.72%
    Medicinal 29.93%
    Smoke 28.74%
    Phenol 26.65%
    Creamy 25.16%
    Musty 24.13%
    Flat 23.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    11.5 (strong base)

    Molecular weight
    126.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 149.08 ˚C est.

  • Synonyms

    • 1,2,4-BENZENETRIOL
    • Benzene-1,2,4-triol
    • 533-73-3
    • 1,2,4-Trihydroxybenzene
    • Hydroxyhydroquinone
    • Hydroxyquinol
    • 4-Hydroxycatechol
    • DTXSID3040930
    • IMEXINE OAM
    • 173O8B04RD
    • NSC-2818
    • CHEBI:16971
    • RefChem:71511
    • DTXCID1020930
    • 208-575-1
    • Oxyhydroquinone
    • 2,5-Dihydroxyphenol
    • Oxyhydrochinon
    • Hydroquinone, hydroxy-
    • 1,3,4-Trihydroxybenzene
    • 1,3,4-Benzenetriol
    • MFCD00002198
    • NSC 2818
    • Oxyhydrochinon [German]
    • CCRIS 2987
    • EINECS 208-575-1
    • BRN 2042863
    • UNII-173O8B04RD
    • AI3-19361
    • 1,4-Benzenetriol
    • Benzene-1,4-triol
    • 1,4-Trihydroxybenzene
    • monohydroxy hydroquinone
    • Phloroglucinol Impurity E
    • WLN: QR BQ DQ
    • bmse000831
    • 1,2,4-trihydroxy benzene
    • Phloroglucinol Impurity 17
    • SCHEMBL33527
    • 2-Hydroxy-1,4-hydroquinone
    • 2-Hydroxy-p-benzohydroquinone
    • 4-06-00-07338 (Beilstein Handbook Reference)
    • SCHEMBL132653
    • SCHEMBL133807
    • orb1692656
    • SCHEMBL2115480
    • SCHEMBL4816089
    • SCHEMBL5542880
    • SCHEMBL7014577
    • CHEMBL3092389
    • SCHEMBL29829218
    • NSC2818
    • 1,2,4-BENZENETRIOL [MI]
    • 1,2,4-Benzenetriol technical grade
    • c0264
    • EBC-03101
    • AKOS015889832
    • CS-W011167
    • DS-8585
    • FB18185
    • HY-W010451
    • AC-12373
    • SY004215
    • DB-018727
    • 1,2,4-Benzenetriol, ReagentPlus(R), 99%
    • H0249
    • NS00001197
    • 33B733
    • C02814
    • EN300-141499
    • F386711
    • Q903332
    • 1,2,4-Benzenetriol, Vetec(TM) reagent grade, 98%
    • 1,2,4-Trihydroxybenzene(Discontinued,See C4X-221717)
    • Z1255438414
    • InChI=1/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9
    • HQN
    • 533-73-3

  • Applications

    1,2,4-Benzenetriol, CAS number: 533-73-3, is primarily used as an industrial chemical intermediate and building block in the synthesis of dyes and pigments, serving as a precursor for functional aromatic compounds used in inks and coatings. It is also employed as a crosslinking-building block for specialty polymers and phenolic resins, contributing to polymer properties in coatings and adhesives. In formulations, it may act as a chelating agent, aiding metal ion complexation and stability in cleaners and industrial fluids. It is evaluated as a synthetic intermediate for pharmaceutical precursors, with use depending on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.98
    methanol 165.31
    isopropanol 91.2
    water 25.33
    ethyl acetate 41.18
    n-propanol 71.99
    acetone 108.25
    n-butanol 64.16
    acetonitrile 23.95
    DMF 305.11
    toluene 1.42
    isobutanol 46.5
    1,4-dioxane 99.58
    methyl acetate 57.81
    THF 624.05
    2-butanone 61.0
    n-pentanol 54.9
    sec-butanol 65.3
    n-hexane 1.61
    ethylene glycol 123.4
    NMP 102.68
    cyclohexane 0.54
    DMSO 431.83
    n-butyl acetate 29.16
    n-octanol 32.28
    chloroform 2.52
    n-propyl acetate 38.97
    acetic acid 58.61
    dichloromethane 2.12
    cyclohexanone 34.16
    propylene glycol 67.83
    isopropyl acetate 40.62
    DMAc 261.23
    2-ethoxyethanol 189.5
    isopentanol 67.45
    n-heptane 4.1
    ethyl formate 39.27
    1,2-dichloroethane 5.04
    n-hexanol 68.94
    2-methoxyethanol 247.53
    isobutyl acetate 16.24
    tetrachloromethane 5.22
    n-pentyl acetate 22.62
    transcutol 88.72
    n-heptanol 46.74
    ethylbenzene 3.12
    MIBK 57.46
    2-propoxyethanol 161.43
    tert-butanol 179.89
    MTBE 75.26
    2-butoxyethanol 92.96
    propionic acid 44.71
    o-xylene 3.65
    formic acid 112.25
    diethyl ether 31.42
    m-xylene 4.35
    p-xylene 3.6
    chlorobenzene 1.3
    dimethyl carbonate 43.71
    n-octane 2.16
    formamide 172.21
    cyclopentanone 117.08
    2-pentanone 64.23
    anisole 25.99
    cyclopentyl methyl ether 64.26
    gamma-butyrolactone 132.62
    1-methoxy-2-propanol 182.74
    pyridine 10.83
    3-pentanone 27.13
    furfural 58.45
    n-dodecane 2.04
    diethylene glycol 189.3
    diisopropyl ether 17.74
    tert-amyl alcohol 126.98
    acetylacetone 82.91
    n-hexadecane 2.1
    acetophenone 23.86
    methyl propionate 47.98
    isopentyl acetate 26.84
    trichloroethylene 7.03
    n-nonanol 30.52
    cyclohexanol 24.86
    benzyl alcohol 22.32
    2-ethylhexanol 35.25
    isooctanol 37.29
    dipropyl ether 34.71
    1,2-dichlorobenzene 2.72
    ethyl lactate 39.82
    propylene carbonate 43.21
    n-methylformamide 143.61
    2-pentanol 52.89
    n-pentane 1.2
    1-propoxy-2-propanol 96.55
    1-methoxy-2-propyl acetate 49.4
    2-(2-methoxypropoxy) propanol 64.3
    mesitylene 4.98
    ε-caprolactone 36.58
    p-cymene 7.02
    epichlorohydrin 103.08
    1,1,1-trichloroethane 7.26
    2-aminoethanol 142.09
    morpholine-4-carbaldehyde 122.76
    sulfolane 157.86
    2,2,4-trimethylpentane 2.27
    2-methyltetrahydrofuran 122.25
    n-hexyl acetate 28.33
    isooctane 2.65
    2-(2-butoxyethoxy)ethanol 81.14
    sec-butyl acetate 26.08
    tert-butyl acetate 63.88
    decalin 1.34
    glycerin 140.07
    diglyme 149.52
    acrylic acid 36.32
    isopropyl myristate 17.81
    n-butyric acid 48.02
    acetyl acetate 22.13
    di(2-ethylhexyl) phthalate 14.62
    ethyl propionate 35.62
    nitromethane 134.19
    1,2-diethoxyethane 34.37
    benzonitrile 8.99
    trioctyl phosphate 17.68
    1-bromopropane 2.58
    gamma-valerolactone 104.25
    n-decanol 25.27
    triethyl phosphate 19.41
    4-methyl-2-pentanol 43.33
    propionitrile 20.26
    vinylene carbonate 22.38
    1,1,2-trichlorotrifluoroethane 74.49
    DMS 16.55
    cumene 4.64
    2-octanol 27.08
    2-hexanone 47.7
    octyl acetate 23.0
    limonene 9.63
    1,2-dimethoxyethane 220.3
    ethyl orthosilicate 19.34
    tributyl phosphate 14.63
    diacetone alcohol 128.05
    N,N-dimethylaniline 24.09
    acrylonitrile 26.01
    aniline 6.67
    1,3-propanediol 148.29
    bromobenzene 0.76
    dibromomethane 1.3
    1,1,2,2-tetrachloroethane 10.59
    2-methyl-cyclohexyl acetate 23.05
    tetrabutyl urea 24.27
    diisobutyl methanol 27.43
    2-phenylethanol 31.64
    styrene 2.28
    dioctyl adipate 21.69
    dimethyl sulfate 84.25
    ethyl butyrate 30.96
    methyl lactate 61.41
    butyl lactate 24.18
    diethyl carbonate 19.0
    propanediol butyl ether 52.26
    triethyl orthoformate 22.58
    p-tert-butyltoluene 8.44
    methyl 4-tert-butylbenzoate 41.7
    morpholine 117.76
    tert-butylamine 69.19
    n-dodecanol 20.0
    dimethoxymethane 191.41
    ethylene carbonate 21.3
    cyrene 68.0
    2-ethoxyethyl acetate 27.29
    2-ethylhexyl acetate 17.11
    1,2,4-trichlorobenzene 3.5
    4-methylpyridine 12.1
    dibutyl ether 18.46
    2,6-dimethyl-4-heptanol 27.43
    DEF 79.23
    dimethyl isosorbide 95.16
    tetrachloroethylene 10.19
    eugenol 45.28
    triacetin 22.49
    span 80 40.88
    1,4-butanediol 87.71
    1,1-dichloroethane 4.0
    2-methyl-1-pentanol 47.86
    methyl formate 104.8
    2-methyl-1-butanol 50.81
    n-decane 3.08
    butyronitrile 23.56
    3,7-dimethyl-1-octanol 28.44
    1-chlorooctane 9.32
    1-chlorotetradecane 4.6
    n-nonane 2.73
    undecane 2.44
    tert-butylcyclohexane 2.24
    cyclooctane 0.63
    cyclopentanol 62.45
    tetrahydropyran 41.29
    tert-amyl methyl ether 55.55
    2,5,8-trioxanonane 116.12
    1-hexene 5.12
    2-isopropoxyethanol 121.57
    2,2,2-trifluoroethanol 57.42
    methyl butyrate 48.9

    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