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Pyrocatechol

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Name

Pyrocatechol

EINECS 204-427-5
CAS No. 120-80-9 Density 1.275 g/cm3
PSA 40.46000 LogP 1.09780
Solubility water: 430 g/L (20 ºC) Melting Point 103-106 ºC
Formula C6H6O2 Boiling Point 245.5 ºC at 760 mmHg
Molecular Weight 110.112 Flash Point 137.2 ºC
Transport Information UN 2811 6.1/PG 3 Appearance off-white powder
Safety 22-26-37 Risk Codes 21/22-36/38
Molecular Structure Molecular Structure of 120-80-9 (Pyrocatechol) Hazard Symbols HarmfulXn
Synonyms

Pyrocatechol(8CI);1,2-Dihydroxybenzene;2-Hydroxyphenol;C.I. 76500;C.I. Oxidation Base 26;Catechol;

Article Data 775

Pyrocatechol Synthetic route

108-95-2

phenol

120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With dihydrogen peroxide; MgAlZr0.1-HT In Petroleum ether at 79.9℃; for 8h;100%
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In methanol; chloroform at -25℃; for 0.333333h;97%
With tert.-butylhydroperoxide In water; acetonitrile at 70℃; for 6h; Catalytic behavior; Temperature; Solvent;89%
2171-74-6

1,3-benzodioxol-2-one

67-63-0

isopropyl alcohol

A

6482-34-4

bis-2-propyl carbonate

B

120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With sodium methylate In neat (no solvent) at 100℃; under 1500.15 Torr; for 5h; Inert atmosphere; Autoclave;A 67%
B 100%
With sodium methylate at 100℃; for 5h; Temperature; Autoclave; Inert atmosphere;A 90 %Chromat.
B n/a
274-09-9

Methylenedioxybenzene

120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With 1,3-dimethyl-2-imidazolidinone; sodium hexamethyldisilazane In tetrahydrofuran at 185℃; for 12h; further reagent: LDA;99%
With sodium di(ethyl)amine In N,N,N,N,N,N-hexamethylphosphoric triamide; benzene for 12h; Heating;85%
With aluminium(III) iodide In carbon disulfide for 7h; Heating; Var. solvent, time and substrate reagent ratio;80%
90-05-1

2-methoxy-phenol

120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
Stage #1: 2-methoxy-phenol With pyridine; iodine; aluminium In acetonitrile for 18h; Reflux;
Stage #2: With hydrogenchloride In water; acetonitrile at 20℃;
99%
With hydrogenchloride In water at 250℃; under 37503.8 Torr; for 3h; Reagent/catalyst; Autoclave; Inert atmosphere; Green chemistry;97%
With aluminium(III) iodide; calcium oxide In acetonitrile at 80℃; for 18h; Reagent/catalyst;94%
14005-14-2

2,2-dimethyl-1,3-benzodioxole

120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 18h; Catalytic behavior; Reagent/catalyst; Solvent;99%
With indium(III) triflate In water; acetonitrile at 120℃; for 0.5h; Microwave irradiation;91%
With sodium di(ethyl)amine In N,N,N,N,N,N-hexamethylphosphoric triamide; benzene for 12h; Heating;88%
116915-91-4

6H,11H-dibenzo<14>dioxocin

120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With hydrogen; palladium hydroxide - carbon In ethanol under 760 Torr;99%
583-55-1

1-Bromo-2-iodobenzene

120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With glycolic Acid; copper hydroxide; sodium hydroxide In water; dimethyl sulfoxide at 120℃; for 6h; Inert atmosphere; Schlenk technique;99%
With β-D-glucose; copper(II) acetate monohydrate; potassium hydroxide In water; dimethyl sulfoxide at 20 - 120℃; for 16h;83%
90-02-8

salicylaldehyde

120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With dihydrogen peroxide at 20℃; for 0.666667h; Time; Dakin Phenol Oxidation; Green chemistry;98%
With dihydrogen peroxide In water at 20℃; for 2h; Dakin Phenol Oxidation; Green chemistry;98%
With 7,8-difluoro-1,3-dimethyl-5-ethyl-4a-hydroperoxyalloxazine; dihydrogen peroxide; sodium hydrogencarbonate In methanol; water at 20℃; for 1h; Dakin oxidation;92%
5075-52-5

1,2-bis(trimethylsilyloxy)benzene

120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0666667h; Green chemistry;98%
17600-72-5

2-ethoxyanisole

120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With hydrogenchloride In water at 250℃; under 37503.8 Torr; for 3h; Autoclave; Inert atmosphere; Green chemistry;98%
With water; hydrogen bromide; Aliquat 336 at 105℃; for 9h; Catalytic behavior;72%

Pyrocatechol Chemical Properties

The Molecular Structure of Catechol (CAS NO.120-80-9):

Empirical Formula: C6H6O2
Molecular Weight: 110.1106
Nominal Mass: 110 Da 
IUPAC Name: benzene-1,2-diol 
Appearance: Off-white powder 
Average Mass: 110.1106 Da
Monoisotopic Mass: 110.036779 Da 
Index of Refraction: 1.612
Molar Refractivity: 30.01 cm3
Molar Volume: 86.2 cm3
Surface Tension: 57.1 dyne/cm
Density: 1.275 g/cm3
Flash Point: 137.2 °C
Enthalpy of Vaporization: 50.21 kJ/mol
Boiling Point: 245.5 °C at 760 mmHg 
Melting Point: 103-106 °C
Vapour Pressure: 0.0183 mmHg at 25°C 
Water Solubility: 430 g/L (20 ºC)
Stability: Stable. Substances to be avoided include acid chlorides, acid anhydrides, bases, oxidizing agents, nitric acid. Light sensitive; may discolour on exposure to air. Combustible. 
Synonyms: 1,2-Benzenediol (pyrocatechol) ; 1,2-benzenediol[qr] ; 1,2-dihydroxybenzene[qr] ; 2-Hydroxyphenol ; 2-hydroxyphenol[qr] ; ai3-03995[qr] ; Benzene, o-dihydroxy- ; benzene,1,2-dihydroxy-  

Pyrocatechol Uses

Approximately 50% of synthetic catechol (CAS NO.120-80-9) is consumed in the production of pesticides, the remainder being used as a precursor to fine chemicals such as perfumes and pharmaceuticals. Catechol (CAS NO.120-80-9) is a common building block in organic synthesis. Several industrially significant flavors and fragrances are prepared starting from Catechol (CAS NO.120-80-9).

Pyrocatechol Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 100mg/kg (100mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.
dog LD50 oral 130mg/kg (130mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.
dog LDLo intravenous 40mg/kg (40mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 62, 1955.
frog LDLo parenteral 160mg/kg (160mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 166, Pg. 437, 1932.
frog LDLo subcutaneous 160mg/kg (160mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 62, 1955.
guinea pig LD50 oral 210mg/kg (210mg/kg)   Advances in Food Research. Vol. 3, Pg. 197, 1951.
guinea pig LDLo intraperitoneal 150mg/kg (150mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 62, 1955.
guinea pig LDLo subcutaneous 200mg/kg (200mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 62, 1955.
mammal (species unspecified) LD50 oral 240mg/kg (240mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 136, 1979.
mouse LD50 intraperitoneal 68mg/kg (68mg/kg)   Pharmacology and Toxicology Vol. 64, Pg. 247, 1989.
 
mouse LD50 oral 260mg/kg (260mg/kg)   Advances in Food Research. Vol. 3, Pg. 197, 1951.
mouse LD50 subcutaneous 247mg/kg (247mg/kg)   Industrial Health. Vol. 5, Pg. 143, 1967.
rabbit LD50 skin 800mg/kg (800mg/kg) SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE American Industrial Hygiene Association Journal. Vol. 37, Pg. 596, 1976.
rabbit LDLo oral 200mg/kg (200mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BLOOD: LEUKOPENIA

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2A, Pg. 2585, 1981.
rabbit LDLo subcutaneous 225mg/kg (225mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969.
rat LD50 oral 260mg/kg (260mg/kg)   Advances in Food Research. Vol. 3, Pg. 197, 1951.
rat LDLo subcutaneous 110mg/kg (110mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie

Pyrocatechol Consensus Reports

 Catechol (CAS NO.120-80-9) is reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Pyrocatechol Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 21/22-36/38 
R21/22: Harmful in contact with skin and if swallowed
R36/38: Irritating to eyes and skin
Safety Statements: 22-26-37 
S22: Do not breathe dust
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S37: Wear suitable gloves
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 2
RTECS: UX1050000
HazardClass: 6.1
PackingGroup: III
Poison by ingestion, subcutaneous, intraperitoneal, intravenous, and parenteral routes. Moderately toxic by skin contact. Experimental reproductive effects. Can cause dermatitis on skin contact. An allergen.Questionable carcinogen. Systemic effects similar to those of phenol. Combustible when exposed to heat or flame; can react vigorously with oxidizing materials. Hypergolic reaction with concentrated nitric acid. To fight fire, use water, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.

Pyrocatechol Standards and Recommendations

OSHA PEL: TWA 5 ppm (skin)
ACGIH TLV: TWA 5 ppm (skin); Animal Carcinogen

Pyrocatechol Specification

1、Fire Fighting Measures 
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Dusts at sufficient concentrations can form explosive mixtures with air. 
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
2、Handling and Storage 
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Take precautionary measures against static discharges. Use only in a chemical fume hood. 
Storage: Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container. Material darkens in color on storage. 

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