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87-66-1

Basic Information
CAS No.: 87-66-1
Name: Pyrogallol
Article Data: 112
Cas Database
Molecular Structure:
Molecular Structure of 87-66-1 (Pyrogallol)
Formula: C6H6O3
Molecular Weight: 126.112
Synonyms: Fourrine PG;NSC 5035;Pyrogallicacid;Pyrogallol (8CI);1,2,3-Trihydroxybenzene;2,3-Dihydroxyphenol;Benzene-1,2,3-triol;C.I. 76515;C.I. Oxidation Base 32;Fouramine Brown AP;Fourrine 85;
EINECS: 211-207-2
Density: 1.488 g/cm3
Melting Point: 43-47 °C(lit.)
Boiling Point: 309 °C at 760 mmHg
Flash Point: 164.4 °C
Solubility: 400 g/L (25 °C) in water
Appearance: white crystalline solid
Hazard Symbols: Xn
Risk Codes: 20/21/22-52/53-68-40
Safety: 22-24/25-61-36/37
Transport Information: UN 2811 6.1/PG 3
PSA: 60.69000
LogP: 0.80340
Synthetic route
149-91-7

3,4,5-trihydroxybenzoic acid

87-66-1

2-hydroxyresorcinol

Conditions
ConditionsYield
With cucumber juice at 30 - 35℃; for 48h; Inert atmosphere; Green chemistry;98%
With Citrobacter sp at 28℃; for 24h; enzymatic synthesis by bacterium in a mixed medium containing: 0.5percent maltose, 0.2percent (NH4)2HPO4, 0.1percent KH2PO4, 0.05percent KCl, 0.05percentMgSO4.7H2Oand 0.05percent yeast, pH=4.5;97.4%
With Cocos nucifera juice at 20℃; for 48h; Inert atmosphere;96%
17864-23-2

1,2,3-tris((trimethylsilyl)oxy)benzene

87-66-1

2-hydroxyresorcinol

Conditions
ConditionsYield
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.133333h; Green chemistry;96%
634-36-6

1,2,3-trimethoxybenzene

87-66-1

2-hydroxyresorcinol

Conditions
ConditionsYield
With aluminium(III) iodide; tetra-(n-butyl)ammonium iodide In benzene for 0.5h; Heating;95%
With aluminum (III) chloride In chloroform for 4h; Solvent; Reflux;80%
24677-78-9

2,3-dihydroxybenzaldehyde

87-66-1

2-hydroxyresorcinol

Conditions
ConditionsYield
With dihydrogen peroxide at 20℃; for 0.833333h; Dakin Phenol Oxidation; Green chemistry;95%
With dihydrogen peroxide In water; acetonitrile at 35℃; for 12h; Dakin Phenol Oxidation;72%
91-10-1

1,3-dimethoxy-2-hydroxy-benzene

87-66-1

2-hydroxyresorcinol

Conditions
ConditionsYield
With hydrogen bromide90%
With cytochrome P450 oxidase; GcoA-F169A reductase; oxygen; NADH; sodium chloride In aq. buffer at 25℃; pH=7.5; Kinetics; Reagent/catalyst; Enzymatic reaction;
7647-01-0

hydrogenchloride

187221-61-0

triphenylantimony o-hydroxy-o-phenylenediamine

A

594-31-0, 34716-91-1, 20265-29-6

triphenylantimony dichloride

B

87-66-1

2-hydroxyresorcinol

Conditions
ConditionsYield
heating (3 h, water bath); soln. pouring into Petri dish, solid extraction by benzene;A 83%
B 90%
525-52-0

pyrogallol triacetate

87-66-1

2-hydroxyresorcinol

Conditions
ConditionsYield
With hydrogenchloride In acetic acid87%
30182-67-3

1,3-Cyclohexanedione

87-66-1

2-hydroxyresorcinol

Conditions
ConditionsYield
With oxygen; tetrabutyl ammonium fluoride In chloroform for 2h; Irradiation;70%
With polymer bound rose bengal; tetrabutyl ammonium fluoride; oxygen In chloroform at 0℃; for 2h; Irradiation;70%
530-59-6

trans-3,5-dimethoxy-4-hydroxycinnamic acid

87-66-1

2-hydroxyresorcinol

Conditions
ConditionsYield
With hydrogenchloride; water at 250℃; under 37503.8 Torr; for 3h; Sealed tube; Inert atmosphere;59%
5150-42-5

2,3-dimethoxyphenol

A

934-00-9

3-methocycatechol

B

87-66-1

2-hydroxyresorcinol

Conditions
ConditionsYield
With aluminium(III) iodide; dimethyl sulfoxide In acetonitrile at 20℃; for 48h; Time;A 24%
B 50%
With 3,4-Dihydroxybenzoic acid; holo-corrinoid protein reconstructed from recombinant apo-protein and methyl cobalamin; methyl transferase I from Desulfitobacterium hafniense; potassium chloride; potassium hydroxide In dimethyl sulfoxide at 30℃; for 24h; pH=6.5; Solvent; Enzymatic reaction;A 12%
B n/a
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    Product Name: Pyrogallol CAS: 87-66-1 MF: C6H6O3 MW: 126.11 EINECS: 201-762-9 Mol File: 87-66-1.mol Pyrogallol Structure Pyrogallol Chemical Properties Melting point 43-47 °C(lit.) Boiling point 309 °C density

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Chemistry

Molecular structure of Pyrogallol (CAS NO.87-66-1) is:

Product Name: Pyrogallol
CAS Registry Number: 87-66-1
IUPAC Name: benzene-1,2,3-triol
Molecular Weight :126.11004 [g/mol]
Molecular Formula: C6H6O3
XLogP3: 0.5
H-Bond Donor: 3
H-Bond Acceptor: 3 
EINECS: 211-207-2
Melting Point: 43-47 °C(lit.)
Surface Tension: 78.6 dyne/cm
Density: 1.488 g/cm3
Flash Point: 164.4 °C
Enthalpy of Vaporization: 57.17 kJ/mol
Boiling Point: 309 °C at 760 mmHg
Vapour Pressure: 0.000361 mmHg at 25 °C
Refractive index: n20/D 1.387
Water Solubility: 400 g/L (25 °C)
Sensitive: Light Sensitive
Stability: Stability Stable, but decolourises in light. Combustible. Incompatible with strong oxidising agents, alkalies, metal oxides, ammonia, antipyrine, phenol, iodine, lime water, menthol, potassium permanganate, strong bases. 
Product Categories: FINE Chemical & INTERMEDIATES;Aromatic Hydrocarbons (substituted) & Derivatives

Uses

 Pyrogallol (CAS NO.87-66-1) can be used in hair dying, dying of suturing materials and for oxygen absorption in gas analysis. but pyrogallol is not likely to be used as a modern hair dye due to the suspected toxicity of the compound.It also has antiseptic properties. It was also used as a developing agent in black-and-white developers, but its use is largely historical except for special purpose applications. When in alkaline solution, it absorbs oxygen from the air, turning purple from a colourless solution. It can be used in this way to calculate the amount of oxygen in air.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
dog LDLo intravenous 80mg/kg (80mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 254, 1955.
dog LDLo oral 25mg/kg (25mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 254, 1955.
dog LDLo subcutaneous 300mg/kg (300mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 254, 1955.
frog LDLo subcutaneous 200mg/kg (200mg/kg) SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA
Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
human LDLo oral 28mg/kg (28mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: OTHER CHANGES
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 507, 1969.
man LDLo subcutaneous 120mg/kg (120mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Znetralbaltt fuer die Medizinischen Wissenschaften. Vol. 19, Pg. 545, 1881.
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 oral 300mg/kg (300mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(8), Pg. 6, 1973.
mouse LD50 subcutaneous 566mg/kg (566mg/kg)   Zeitschrift fuer die Gesamte Innere Medizin und Ihre Grenzgebiete. Vol. 2, Pg. 333, 1947.
rabbit LD50 oral 1600mg/kg (1600mg/kg) GASTROINTESTINAL: GASTRITIS

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
American Journal of Veterinary Research. Vol. 23, Pg. 1264, 1962.
rabbit LDLo subcutaneous 1gm/kg (1000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rat LDLo subcutaneous 650mg/kg (650mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969.

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22-52/53-68-40 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R68:Possible risk of irreversible effects. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 22-24/25-61-36/37 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: UX2800000
F: 8
HazardClass: 6.1
PackingGroup: III

Specification

 Pyrogallol , its cas register number is 87-66-1. It also can be called 1,2,3-Benzenetriol ; 1,2,3-Trihydroxybenzene ; C.I. 76515 .It is a odorless white to gray solid. It sinks and mixes with water. Its reactions turns gray on exposure to light or air.

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