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Basic information

  • Name:

  • Pyrocatechol

  • CAS No.:

  • 120-80-9

  • Formula:
  • C6H6O2
  • Synonyms:
  • Pyrocatechol(8CI);1,2-Dihydroxybenzene;2-Hydroxyphenol;C.I. 76500;C.I. Oxidation Base 26;Catechol;

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Chemistry

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-  

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).

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

Consensus Reports

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

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.

Standards and Recommendations

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

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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