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Conditions | Yield |
---|---|
montmorillonite K-10 for 0.0166667h; Solid phase reaction; desilylation; microwave irradiation; | 100% |
With Nanoporous Na+-Montmorillonite Perchloric Acid In ethanol at 20℃; for 0.0833333h; | 90% |
With hydrogenchloride In methanol Ambient temperature; Yield given; |
o-Tolyl N,N,N',N'-tetramethylphosphorodiamidate
ortho-cresol
Conditions | Yield |
---|---|
With formic acid for 1h; Product distribution; Heating; | 100% |
In formic acid for 1h; Heating; Yield given; |
2-Methylphenylboronic acid
ortho-cresol
Conditions | Yield |
---|---|
With 3,3'-dihexyloxy-1,1'-binaphthylidene-4,4'-dione; potassium hydroxide In tetrahydrofuran; water at 20℃; | 100% |
With dihydrogen peroxide at 20℃; for 0.25h; Green chemistry; | 98% |
With water; oxygen; sodium sulfite at 50℃; for 1h; Green chemistry; | 97% |
Conditions | Yield |
---|---|
With hydrogen In para-xylene at 120℃; under 750.075 Torr; for 24h; Glovebox; Sealed tube; chemoselective reaction; | 99% |
With formic acid; C18H14ClN4O2Ru(1+)*Cl(1-); sodium formate In water at 80℃; for 32h; Inert atmosphere; | 70% |
With acetic acid; zinc In ethanol at 180℃; for 0.25h; Solvent; Temperature; Microwave irradiation; | 56% |
Conditions | Yield |
---|---|
platinum; potassium oxide at 360℃; | A 98% B 2% |
platinum; potassium oxide at 360℃; Product distribution; other content of catalyst; | A 98% B 2% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; cobalt(II) chloride In ethanol at 0 - 25℃; for 10h; | 98% |
Conditions | Yield |
---|---|
With hydrogen; nickel-titanium-aluminum In various solvent(s) at 160℃; for 3h; | 97.8% |
With hydrogen; nickel-titanium-aluminum In various solvent(s) at 160℃; for 3h; Product distribution; Rate constant; Thermodynamic data; other temperatures; | 97.8% |
Conditions | Yield |
---|---|
With glycolic Acid; copper hydroxide; sodium hydroxide In water; dimethyl sulfoxide at 120℃; for 6h; Inert atmosphere; Schlenk technique; | 97% |
With copper(l) iodide; 8-quinolinol; potassium hydroxide In water; dimethyl sulfoxide; tert-butyl alcohol at 100℃; for 48h; Inert atmosphere; | 96% |
Stage #1: ortho-methylphenyl iodide With copper(l) iodide; 8-Hydroxyquinoline-N-oxide In dimethyl sulfoxide at 20℃; for 0.166667h; Inert atmosphere; Stage #2: With cesiumhydroxide monohydrate In water; dimethyl sulfoxide at 100℃; for 24h; Inert atmosphere; | 95% |
1,1-dimethylethyl 2-methylphenyl carbonate
ortho-cresol
Conditions | Yield |
---|---|
With erbium(III) triflate In ethanol for 25h; Microwave irradiation; | 97% |
2-hydroxy-3-methylphenyl boronic acid
ortho-cresol
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 120℃; for 24h; | 96% |
The o-Cresol, with the cas registry number 95-48-7, has the IUPAC name of 2-methylphenol. Being a kind of colorless crystal, it is sensitive to light and air, and is stable chemically while incompatible with oxidizing agents, bases. And this is insoluble in water, aqueouscaustic and other organic solvents.
The characteristics of o-Cresol are as follows:
(1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.62; (6)ACD/BCF (pH 7.4): 17.6; (7)ACD/KOC (pH 5.5): 271.31; (8)ACD/KOC (pH 7.4): 270.98; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 32.95 cm3; (15)Molar Volume: 104.1 cm3; (16)Polarizability: 13.06 ×10-24 cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.038 g/cm3; (19)Flash Point: 77.1 °C; (20)Enthalpy of Vaporization: 44.47 kJ/mol; (21)Boiling Point: 191 °C at 760 mmHg; (22)Vapour Pressure: 0.379 mmHg at 25°C; (23)Exact Mass: 108.057515; (24)MonoIsotopic Mass: 108.057515; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 8; (27)Complexity: 70.8.
The production methods of o-Cresol are as below:
The first way: prepare the carbolic acid and then react with the alkylating agent of carbinol and the catalytic agent to produce o-Cresol; The second way: diazotize and then hydrolyze the Ortho Toluidine to produce o-Cresol; The third way: prepare the material of phenol and carbinol and then have the methylation with the manometer pressure of 4.14MPa and existence of aluminium oxide to get this chemical.
Uses of o-Cresol:
As to its usage, it is widely applied in many ways. It could be used as the intermediate of pesticide and herbicide, disinfectant, preservative and diluent and also in synthesis of coumarin ; It could be also used in organic synthesis and analysis reagent.
Safety Information of o-Cresol:
When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. This is a kind of toxic chemical which could at low levels cause damage to health. And it has the danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1O
(2)InChI: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
(3)InChIKey: QWVGKYWNOKOFNN-UHFFFAOYSA-N
Below are the toxicity information of o-Cresol:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | subcutaneous | 55mg/kg (55mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944. | |
dog | LDLo | intravenous | 80mg/kg (80mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 57, 1959. | |
frog | LDLo | subcutaneous | 200mg/kg (200mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935. | |
guinea pig | LDLo | intraperitoneal | 720mg/kg (720mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935. | |
guinea pig | LDLo | subcutaneous | 35mg/kg (35mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: EXCITEMENT | Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895. |
mouse | LC50 | inhalation | 179mg/m3/2H (179mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 40, 1982. | |
mouse | LD50 | oral | 344mg/kg (344mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974. | |
mouse | LDLo | intraperitoneal | 200mg/kg (200mg/kg) | Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952. | |
mouse | LDLo | subcutaneous | 410mg/kg (410mg/kg) | Zeitschrift fuer Hygiene und Infektionskrankheiten. Vol. 64, Pg. 113, 1909. | |
rabbit | LD50 | skin | 890mg/kg (890mg/kg) | Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977. | |
rabbit | LDLo | intravenous | 180mg/kg (180mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944. | |
rabbit | LDLo | oral | 940mg/kg (940mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944. | |
rabbit | LDLo | subcutaneous | 450mg/kg (450mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935. | |
rat | LC50 | inhalation | > 1220mg/m3/1H (1220mg/m3) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969, |
rat | LD50 | oral | 121mg/kg (121mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969, |
rat | LD50 | skin | 620mg/kg (620mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974. | |
rat | LDLo | subcutaneous | 65mg/kg (65mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895 |