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Substance Name: Catechol
RN: 120-80-9
UNII: LF3AJ089DQ
InChIKey: YCIMNLLNPGFGHC-UHFFFAOYSA-N
Molecular Formula
- C6-H6-O2
Molecular Weight
- 110.1114
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Agricultural Chemical
- Fungicide, Bactericide, Wood Preservative
- Mutation Data
- Reproductive Effect
- Tumor Data
Superlist Classification Codes
- Overall Carcinogenic Evaluation: Group 2B
- Reportable Quantity (RQ) = 100 lb
- TWA (5 ppm); skin; Confirmed animal carcinogen with unknown relevance to humans
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NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- 1,2-Benzenediol
- 1,2-Dihydroxybenzene
- Catechol
- CI 76500
- Pyrocatechin
- Pyrocatechol
Synonyms
- 1,2-Benzenediol
- 1,2-Dihydroxybenzene
- 2-Hydroxyphenol
- 4-06-00-05557 (Beilstein Handbook Reference)
- AI3-03995
- Benzene, o-dihydroxy-
- BRN 0471401
- C.I. 76500
- C.I. Oxidation Base 26
- Catechin (phenol)
- Catechol
- Catechol (phenol)
- CCRIS 741
- CI 76500
- CI Oxidation Base 26
- Durafur developer C
- EC 204-427-5
- EINECS 204-427-5
- Fouramine PCH
- Fourrine 68
- HSDB 1436
- Katechol
- Katechol [Czech]
- NCI-C55856
- NSC 1573
- o-Benzenediol
- o-Dihydroxybenzene
- o-Dioxybenzene
- o-Diphenol
- o-Hydroquinone
- o-Hydroxyphenol
- o-Phenylenediol
- ortho-Benzenediol
- ortho-Dihydroxybenzene
- ortho-Dioxybenzene
- ortho-Hydroquinone
- ortho-Hydroxyphenol
- ortho-Phenylenediol
- Oxyphenic acid
- Pelagol Grey C
- Phthalhydroquinone
- Pyrocatechin
- Pyrocatechine
- Pyrocatechinic acid
- Pyrocatechol
- Pyrocatechuic acid
- Pyrokatechin
- Pyrokatechin [Czech]
- Pyrokatechol
- Pyrokatechol [Czech]
- UNII-LF3AJ089DQ
Systematic Names
- 1,2-Benzenediol
- Catechol
- Pyrocatechol
Superlist Names
- 1,2-Benzenediol
- Catechol
- Pyrocatechol
Registry Numbers
CAS Registry Number
- 120-80-9
FDA UNII
- LF3AJ089DQ
Other Registry Numbers
- 16474-89-8
- 16474-90-1
- 37349-32-9
Related Registry Number
- 20244-21-7 (unspecified hydrochloride salt)
System Generated Number
- 0000120809
Structure Descriptors
InChI
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8HInChIKey
YCIMNLLNPGFGHC-UHFFFAOYSA-NSmiles
Oc1ccccc1OToxicity
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) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE | 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) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) 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) | BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN BLOOD: LEUKOPENIA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | "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. Vol. 176, Pg. 193, 1968. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 105 | deg C | EXP | |
Boiling Point | 245 | deg C | EXP | |
pKa Dissociation Constant | 9.45 | (none) | 25 | EXP |
log P (octanol-water) | 0.88 | (none) | EXP | |
Water Solubility | 4.61E+05 | mg/L | 25 | EXP |
Henry's Law Constant | 3.14E-09 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.04E-10 | cm3/molecule-sec | 27 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.