Pyrogallol

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  • Identifiers

    CAS number
    87-66-1

    Molecular formula
    C6H6O3

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Phenolic 76.38%
    Odorless 53.97%
    Burnt 50.59%
    Smoky 43.31%
    Medicinal 38.81%
    Spicy 26.94%
    Balsamic 19.62%
    Meaty 18.87%
    Savory 18.81%
    Vanilla 18.23%

     

    Flavor
    Phenolic 62.76%
    Bitter 57.19%
    Medicinal 34.86%
    Mild 33.97%
    Medical 32.69%
    Smoke 32.15%
    Phenol 30.66%
    Sweet 29.7%
    Smoky 27.75%
    Creamy 25.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    11.0 (weak base)

    Molecular weight
    126.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 271 to 273 °F (NTP, 1992)
    • 133 °C
    • 131-134 °C

    Boiling point

    • 588 °F at 760 mmHg (Decomposes at 559 °F) (NTP, 1992)
    • 309 °C

    Flash point

    • 144.51 ˚C est.

    Solubility expt.

    • greater than or equal to 100 mg/mL at 77 °F (NTP, 1992)
    • Very soluble in ethanol, diethyl ether
    • 1 g dissolves in 1.7 mL water, 1.3 mL alcohol, 1.6 mL ether; slightly sol in benzene, chloroform, carbon disulfide
    • Soluble in oxygenated solvents
    • Solubility in water: 6.25X10+5 mg/L at 25 °C; 4X10+5 mg/L at 13 °C
    • In water, 5.07X10+5 mg/L at 25 °C
    • 507 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 60 (good)

  • Synonyms

    • pyrogallol
    • benzene-1,2,3-triol
    • 87-66-1
    • 1,2,3-trihydroxybenzene
    • pyrogallic acid
    • 1,2,3-benzenetriol
    • fourrine PG
    • Fouramine Brown AP
    • fourrine 85
    • Pyro
    • Piral
    • C.I. Oxidation Base 32
    • fouramine base ap
    • C.I. 76515
    • 1,2,3-Trihydroxybenzen
    • CI Oxidation Base 32
    • Benzene, 1,2,3-trihydroxy-
    • NSC 5035
    • 2,3-Dihydroxyphenol
    • CCRIS 1940
    • HSDB 794
    • NSC-5035
    • EINECS 201-762-9
    • UNII-01Y4A2QXY0
    • BRN 0907431
    • 01Y4A2QXY0
    • CI 76515
    • DTXSID6025983
    • CHEBI:16164
    • AI3-00709
    • 1,2,3-Trihydroxybenzen [Czech]
    • 1,2,3-TRIHYDROXY-BENZENE
    • benzene-1,2-3-triol
    • MFCD00002192
    • CHEMBL307145
    • DTXCID905983
    • 4-06-00-07327 (Beilstein Handbook Reference)
    • Benzene-1,2,3-triol (Pyrogallol)
    • NCGC00091507-01
    • PYROGALLOL (MART.)
    • PYROGALLOL [MART.]
    • 1,2,3-Trihydroxybenzen (CZECH)
    • acid, Pyrogallic
    • CAS-87-66-1
    • Pyrogallol [NF]
    • PYG
    • PYROGALLOL, ACS
    • Pyrogallic
    • trihydroxybenzene
    • 1,3-Benzenetriol
    • PYROP
    • Pyrogallol ACS grade
    • 1,3-Trihydroxybenzen
    • Pyrogallol (Standard)
    • 1,3-Trihydroxybenzene
    • PYROGALLOL [MI]
    • Pyrogallol, ACS reagent
    • PYROGALLOL [HSDB]
    • Benzene,2,3-trihydroxy-
    • WLN: QR BQ CQ
    • PYROGALLOL [VANDF]
    • SCHEMBL3532
    • PYROGALLOL [WHO-DD]
    • C.I. Oxidation Base 32
    • MLS001066376
    • Pyrogallol, analytical standard
    • 1,2,3-Trihydroxybenzene, XIV
    • Pyrogallol, >=98% (HPLC)
    • Pyrogallol, p.a., ACS reagent
    • GTPL13596
    • HY-N1579R
    • NSC5035
    • BCP15871
    • HY-N1579
    • Pyrogallol, ACS reagent, >=99%
    • STR08708
    • Tox21_111143
    • Tox21_202373
    • BBL011607
    • BDBM50031472
    • Pyrogallol, Vetec(TM) reagent grade
    • s3885
    • STL163335
    • AKOS000120163
    • CCG-266100
    • CS-W019928
    • FP39697
    • 1,2,3-Benzenetriol (ACD/Name 4.0)
    • NCGC00091507-02
    • NCGC00091507-03
    • NCGC00259922-01
    • Pyrogallol, purum, >=98.0% (HPLC)
    • AC-11384
    • BP-12538
    • DA-40956
    • GMN
    • Pyrogallol, SAJ first grade, >=98.0%
    • SMR000471842
    • Pyrogallol, JIS special grade, >=99.0%
    • NS00014915
    • P0570
    • EN300-18055
    • A11637
    • C01108
    • AB-131/40221933
    • Q388692
    • Z57127553
    • 2,3-Dihydroxyphenol; Benzene-1,2,3-triol; NSC 5035
    • F0001-2163
    • InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9
    • 201-762-9
    • 30813-84-4

  • Applications

    Pyrogallol (CAS 87-66-1) is commonly used as a reducing agent in traditional photographic development; it also serves as an intermediate in the synthesis of dyes and pigments. It may function as an antioxidant and stabilizer in certain polymers and coatings, and is employed as a reagent in analytical chemistry and metal-complex formation, while acting as a versatile precursor for specialty resins and related organic chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 101.16
    methanol 200.2
    isopropanol 63.24
    water 8.89
    ethyl acetate 25.44
    n-propanol 62.88
    acetone 35.22
    n-butanol 48.27
    acetonitrile 9.97
    DMF 127.04
    toluene 0.72
    isobutanol 31.15
    1,4-dioxane 60.12
    methyl acetate 27.3
    THF 159.49
    2-butanone 29.64
    n-pentanol 32.89
    sec-butanol 49.91
    n-hexane 0.53
    ethylene glycol 111.06
    NMP 71.47
    cyclohexane 0.5
    DMSO 290.26
    n-butyl acetate 14.62
    n-octanol 28.96
    chloroform 0.36
    n-propyl acetate 14.46
    acetic acid 63.61
    dichloromethane 0.55
    cyclohexanone 16.5
    propylene glycol 66.98
    isopropyl acetate 23.01
    DMAc 108.17
    2-ethoxyethanol 166.05
    isopentanol 46.21
    n-heptane 2.46
    ethyl formate 17.45
    1,2-dichloroethane 1.6
    n-hexanol 35.64
    2-methoxyethanol 264.51
    isobutyl acetate 5.5
    tetrachloromethane 0.5
    n-pentyl acetate 20.29
    transcutol 305.86
    n-heptanol 32.34
    ethylbenzene 0.77
    MIBK 31.99
    2-propoxyethanol 106.85
    tert-butanol 116.42
    MTBE 43.09
    2-butoxyethanol 81.81
    propionic acid 43.87
    o-xylene 1.58
    formic acid 147.78
    diethyl ether 29.14
    m-xylene 1.8
    p-xylene 0.77
    chlorobenzene 0.45
    dimethyl carbonate 17.75
    n-octane 1.33
    formamide 277.13
    cyclopentanone 37.18
    2-pentanone 34.25
    anisole 8.55
    cyclopentyl methyl ether 29.3
    gamma-butyrolactone 62.67
    1-methoxy-2-propanol 176.27
    pyridine 6.77
    3-pentanone 14.65
    furfural 35.55
    n-dodecane 1.32
    diethylene glycol 143.24
    diisopropyl ether 12.47
    tert-amyl alcohol 82.24
    acetylacetone 45.08
    n-hexadecane 1.38
    acetophenone 9.26
    methyl propionate 27.45
    isopentyl acetate 15.79
    trichloroethylene 1.62
    n-nonanol 26.57
    cyclohexanol 18.48
    benzyl alcohol 11.03
    2-ethylhexanol 18.47
    isooctanol 26.18
    dipropyl ether 21.41
    1,2-dichlorobenzene 0.81
    ethyl lactate 23.11
    propylene carbonate 20.7
    n-methylformamide 93.67
    2-pentanol 42.38
    n-pentane 1.03
    1-propoxy-2-propanol 75.72
    1-methoxy-2-propyl acetate 38.14
    2-(2-methoxypropoxy) propanol 74.8
    mesitylene 2.26
    ε-caprolactone 24.86
    p-cymene 3.47
    epichlorohydrin 41.52
    1,1,1-trichloroethane 0.92
    2-aminoethanol 144.38
    morpholine-4-carbaldehyde 102.03
    sulfolane 95.5
    2,2,4-trimethylpentane 1.47
    2-methyltetrahydrofuran 60.71
    n-hexyl acetate 27.72
    isooctane 1.81
    2-(2-butoxyethoxy)ethanol 125.81
    sec-butyl acetate 11.66
    tert-butyl acetate 44.04
    decalin 0.48
    glycerin 140.0
    diglyme 180.68
    acrylic acid 37.61
    isopropyl myristate 15.81
    n-butyric acid 39.95
    acetyl acetate 13.07
    di(2-ethylhexyl) phthalate 12.05
    ethyl propionate 14.91
    nitromethane 106.26
    1,2-diethoxyethane 54.86
    benzonitrile 3.36
    trioctyl phosphate 14.06
    1-bromopropane 1.12
    gamma-valerolactone 71.9
    n-decanol 20.66
    triethyl phosphate 10.28
    4-methyl-2-pentanol 32.11
    propionitrile 7.97
    vinylene carbonate 11.2
    1,1,2-trichlorotrifluoroethane 48.62
    DMS 14.51
    cumene 1.23
    2-octanol 21.57
    2-hexanone 15.17
    octyl acetate 19.81
    limonene 5.79
    1,2-dimethoxyethane 116.75
    ethyl orthosilicate 10.82
    tributyl phosphate 12.66
    diacetone alcohol 100.29
    N,N-dimethylaniline 7.84
    acrylonitrile 10.57
    aniline 4.71
    1,3-propanediol 150.83
    bromobenzene 0.24
    dibromomethane 0.39
    1,1,2,2-tetrachloroethane 2.25
    2-methyl-cyclohexyl acetate 12.38
    tetrabutyl urea 19.85
    diisobutyl methanol 19.85
    2-phenylethanol 14.66
    styrene 0.67
    dioctyl adipate 20.06
    dimethyl sulfate 37.83
    ethyl butyrate 15.59
    methyl lactate 48.09
    butyl lactate 25.92
    diethyl carbonate 9.22
    propanediol butyl ether 65.11
    triethyl orthoformate 14.21
    p-tert-butyltoluene 4.47
    methyl 4-tert-butylbenzoate 32.98
    morpholine 95.02
    tert-butylamine 40.14
    n-dodecanol 15.85
    dimethoxymethane 111.5
    ethylene carbonate 10.31
    cyrene 50.41
    2-ethoxyethyl acetate 37.27
    2-ethylhexyl acetate 9.25
    1,2,4-trichlorobenzene 1.3
    4-methylpyridine 4.85
    dibutyl ether 17.94
    2,6-dimethyl-4-heptanol 19.85
    DEF 47.85
    dimethyl isosorbide 88.38
    tetrachloroethylene 2.41
    eugenol 36.45
    triacetin 30.25
    span 80 50.77
    1,4-butanediol 64.46
    1,1-dichloroethane 0.71
    2-methyl-1-pentanol 28.43
    methyl formate 50.55
    2-methyl-1-butanol 36.31
    n-decane 1.99
    butyronitrile 9.09
    3,7-dimethyl-1-octanol 26.88
    1-chlorooctane 5.65
    1-chlorotetradecane 2.93
    n-nonane 1.72
    undecane 1.6
    tert-butylcyclohexane 0.74
    cyclooctane 0.52
    cyclopentanol 34.22
    tetrahydropyran 23.8
    tert-amyl methyl ether 38.19
    2,5,8-trioxanonane 145.29
    1-hexene 1.54
    2-isopropoxyethanol 91.94
    2,2,2-trifluoroethanol 37.96
    methyl butyrate 17.65

    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