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| CAS No.: | 120-80-9 |
|---|---|
| Name: | Pyrocatechol |
| Article Data: | 775 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6O2 |
| Molecular Weight: | 110.112 |
| Synonyms: | Pyrocatechol(8CI);1,2-Dihydroxybenzene;2-Hydroxyphenol;C.I. 76500;C.I. Oxidation Base 26;Catechol; |
| EINECS: | 204-427-5 |
| Density: | 1.275 g/cm3 |
| Melting Point: | 103-106 ºC |
| Boiling Point: | 245.5 ºC at 760 mmHg |
| Flash Point: | 137.2 ºC |
| Solubility: | water: 430 g/L (20 ºC) |
| Appearance: | off-white powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 21/22-36/38 |
| Safety: | 22-26-37 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 40.46000 |
| LogP: | 1.09780 |
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| Conditions | Yield |
|---|---|
| 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% |
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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 | Yield |
|---|---|
| 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 |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With hydrogen; palladium hydroxide - carbon In ethanol under 760 Torr; | 99% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
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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: 
Xn
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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