2,4,6-Trihydroxybenzoic acid

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  • Identifiers

    CAS number
    83-30-7

    Molecular formula
    C7H6O5

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 71.18%
    Phenolic 49.73%
    Burnt 25.03%
    Nutty 23.0%
    Medicinal 20.19%
    Balsamic 19.75%
    Bitter 19.35%
    Sour 18.7%
    Smoky 17.11%
    Animal 17.03%

     

    Flavor
    Odorless 48.57%
    Phenolic 48.45%
    Mild 42.28%
    Nutty 38.25%
    Bitter 36.88%
    Musty 26.07%
    Sour 23.45%
    Very mild 23.21%
    Bland 22.89%
    Urine 21.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.79 (neutral)

    Molecular weight
    170.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    394°C

    Melting point expt.

    • 207 - 210 °C

    Flash point

    • 230.92 ˚C est.

  • Synonyms

    • 2,4,6-Trihydroxybenzoic acid
    • 83-30-7
    • Phloroglucinic acid
    • Benzoic acid, 2,4,6-trihydroxy-
    • Phloroglucinolcarboxylic acid
    • 2,4,6-Trihydroxybenzene carboxylic acid
    • 3NC0UQ5EMR
    • NSC-36720
    • DTXSID1058890
    • RefChem:442925
    • DTXCID2048329
    • 201-467-5
    • Phloroglucinol carboxylic acid
    • Phloroglucincarboxylic acid
    • MFCD00002453
    • 2,4,6-Trichydroxybenzoic acid
    • 2,4,6-Trihydroxybenzoicacid
    • EINECS 201-467-5
    • UNII-3NC0UQ5EMR
    • NSC 36720
    • BRN 2212148
    • AI3-15973
    • 2,4,6-Trihydroxy benzoic acid
    • Phloroglucinol Impurity S
    • 2,6-Trihydroxybenzoic acid
    • WLN: QVR BQ DQ FQ
    • 2,6-Trihydroxy benzoic acid
    • 4-10-00-01987 (Beilstein Handbook Reference)
    • SCHEMBL180437
    • Benzoic acid,4,6-trihydroxy-
    • orb1683815
    • SCHEMBL6858883
    • 2,4,6-trihydroxy-benzoic acid
    • CHEMBL3747578
    • 2,4, 6-Trihydroxy benzoic acid
    • CHEBI:165217
    • BDBM108031
    • NSC36720
    • SBB058332
    • 2,4,6-trihydroxybenzoic acid (M3)
    • 2,6-Trihydroxybenzene carboxylic acid
    • AKOS009158439
    • DS-2070
    • EBC-466063
    • FT71833
    • HY-W077292
    • DA-76823
    • PD166630
    • SY047634
    • CS-0120031
    • NS00038247
    • P0601
    • ST51016228
    • EN300-109044
    • O10584
    • AE-562/43341371
    • F607576
    • Q374897
    • 2,4,6-Trihydroxybenzoic Acid(Discontinued,See C4X-221732)
    • 83-30-7

  • Applications

    2,4,6-Trihydroxybenzoic acid (CAS 83-30-7) is used as a building block in the synthesis of polyphenolic compounds and antioxidants; practical applications include serving as a precursor for UV stabilizers in polymers and coatings, as a starting material for dyes and pigments, as a metal chelating agent in cleaning formulations and surface treatments, as a crosslinking-building block in plastics and coatings, and as an ingredient in cosmetics with potential antioxidant or stabilizing roles, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 98.05
    methanol 168.55
    isopropanol 70.31
    water 8.81
    ethyl acetate 53.18
    n-propanol 77.07
    acetone 91.27
    n-butanol 58.88
    acetonitrile 67.97
    DMF 311.26
    toluene 1.19
    isobutanol 42.04
    1,4-dioxane 68.52
    methyl acetate 58.22
    THF 253.73
    2-butanone 53.15
    n-pentanol 47.7
    sec-butanol 42.24
    n-hexane 0.67
    ethylene glycol 193.7
    NMP 239.4
    cyclohexane 0.17
    DMSO 518.17
    n-butyl acetate 31.71
    n-octanol 40.6
    chloroform 0.9
    n-propyl acetate 46.59
    acetic acid 121.9
    dichloromethane 2.34
    cyclohexanone 33.34
    propylene glycol 205.62
    isopropyl acetate 38.39
    DMAc 182.13
    2-ethoxyethanol 245.41
    isopentanol 44.39
    n-heptane 1.48
    ethyl formate 62.96
    1,2-dichloroethane 5.09
    n-hexanol 40.56
    2-methoxyethanol 431.2
    isobutyl acetate 20.45
    tetrachloromethane 0.3
    n-pentyl acetate 33.67
    transcutol 404.88
    n-heptanol 32.14
    ethylbenzene 1.13
    MIBK 41.85
    2-propoxyethanol 237.88
    tert-butanol 70.82
    MTBE 18.61
    2-butoxyethanol 125.66
    propionic acid 88.08
    o-xylene 1.37
    formic acid 158.73
    diethyl ether 23.36
    m-xylene 2.13
    p-xylene 1.21
    chlorobenzene 1.18
    dimethyl carbonate 84.49
    n-octane 0.77
    formamide 228.19
    cyclopentanone 111.77
    2-pentanone 60.73
    anisole 10.51
    cyclopentyl methyl ether 43.53
    gamma-butyrolactone 239.61
    1-methoxy-2-propanol 400.27
    pyridine 12.41
    3-pentanone 27.8
    furfural 117.26
    n-dodecane 1.11
    diethylene glycol 318.18
    diisopropyl ether 8.33
    tert-amyl alcohol 39.83
    acetylacetone 95.51
    n-hexadecane 1.16
    acetophenone 17.01
    methyl propionate 78.6
    isopentyl acetate 22.66
    trichloroethylene 4.66
    n-nonanol 36.56
    cyclohexanol 17.18
    benzyl alcohol 18.49
    2-ethylhexanol 18.55
    isooctanol 23.68
    dipropyl ether 26.79
    1,2-dichlorobenzene 1.48
    ethyl lactate 87.97
    propylene carbonate 95.09
    n-methylformamide 243.13
    2-pentanol 38.65
    n-pentane 0.84
    1-propoxy-2-propanol 159.77
    1-methoxy-2-propyl acetate 91.42
    2-(2-methoxypropoxy) propanol 135.01
    mesitylene 1.8
    ε-caprolactone 62.12
    p-cymene 2.51
    epichlorohydrin 137.93
    1,1,1-trichloroethane 1.9
    2-aminoethanol 228.94
    morpholine-4-carbaldehyde 247.35
    sulfolane 301.04
    2,2,4-trimethylpentane 0.56
    2-methyltetrahydrofuran 65.66
    n-hexyl acetate 53.43
    isooctane 0.81
    2-(2-butoxyethoxy)ethanol 215.51
    sec-butyl acetate 22.39
    tert-butyl acetate 46.34
    decalin 0.38
    glycerin 346.49
    diglyme 245.45
    acrylic acid 100.06
    isopropyl myristate 22.37
    n-butyric acid 81.06
    acetyl acetate 32.59
    di(2-ethylhexyl) phthalate 23.33
    ethyl propionate 45.12
    nitromethane 295.45
    1,2-diethoxyethane 57.11
    benzonitrile 10.96
    trioctyl phosphate 28.47
    1-bromopropane 3.08
    gamma-valerolactone 225.04
    n-decanol 28.18
    triethyl phosphate 19.54
    4-methyl-2-pentanol 26.4
    propionitrile 38.8
    vinylene carbonate 57.25
    1,1,2-trichlorotrifluoroethane 111.17
    DMS 41.47
    cumene 1.44
    2-octanol 22.25
    2-hexanone 39.42
    octyl acetate 34.12
    limonene 3.85
    1,2-dimethoxyethane 172.47
    ethyl orthosilicate 17.08
    tributyl phosphate 26.37
    diacetone alcohol 131.81
    N,N-dimethylaniline 9.95
    acrylonitrile 57.1
    aniline 7.02
    1,3-propanediol 210.76
    bromobenzene 0.62
    dibromomethane 1.16
    1,1,2,2-tetrachloroethane 4.56
    2-methyl-cyclohexyl acetate 19.78
    tetrabutyl urea 37.39
    diisobutyl methanol 15.16
    2-phenylethanol 20.03
    styrene 1.04
    dioctyl adipate 39.2
    dimethyl sulfate 136.54
    ethyl butyrate 34.02
    methyl lactate 181.85
    butyl lactate 61.97
    diethyl carbonate 21.66
    propanediol butyl ether 176.79
    triethyl orthoformate 26.94
    p-tert-butyltoluene 2.87
    methyl 4-tert-butylbenzoate 49.71
    morpholine 119.53
    tert-butylamine 22.54
    n-dodecanol 20.69
    dimethoxymethane 243.87
    ethylene carbonate 50.27
    cyrene 139.68
    2-ethoxyethyl acetate 67.19
    2-ethylhexyl acetate 14.09
    1,2,4-trichlorobenzene 2.24
    4-methylpyridine 13.39
    dibutyl ether 21.39
    2,6-dimethyl-4-heptanol 15.16
    DEF 77.89
    dimethyl isosorbide 202.51
    tetrachloroethylene 2.1
    eugenol 63.99
    triacetin 73.41
    span 80 103.56
    1,4-butanediol 97.69
    1,1-dichloroethane 2.81
    2-methyl-1-pentanol 27.97
    methyl formate 187.08
    2-methyl-1-butanol 36.4
    n-decane 1.6
    butyronitrile 33.93
    3,7-dimethyl-1-octanol 27.45
    1-chlorooctane 6.45
    1-chlorotetradecane 3.42
    n-nonane 1.33
    undecane 1.33
    tert-butylcyclohexane 0.57
    cyclooctane 0.23
    cyclopentanol 47.2
    tetrahydropyran 23.21
    tert-amyl methyl ether 18.92
    2,5,8-trioxanonane 209.45
    1-hexene 2.45
    2-isopropoxyethanol 132.4
    2,2,2-trifluoroethanol 76.21
    methyl butyrate 50.19

    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