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| CAS No.: | 108-39-4 |
|---|---|
| Name: | m-Cresol |
| Article Data: | 522 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8O |
| Molecular Weight: | 108.14 |
| Synonyms: | 3-Hydroxytoluene;3-Methylphenol;Caswell No. 261A;FEMA No. 3530;Franklin Cresolis;PHENOL;m-Cresol; |
| EINECS: | 203-577-9 |
| Density: | 1.038 g/cm3 |
| Melting Point: | 8-10 °C(lit.) |
| Boiling Point: | 202.279 °C at 760 mmHg |
| Flash Point: | 86.111 °C |
| Solubility: | 20 g/L (20 °C) in water |
| Appearance: | colourless to light yellow liquid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 24/25-34-39/23/24/25-23/24/25 |
| Safety: | 36/37/39-45-36/37 |
| Transport Information: | UN 2076 6.1/PG 2 |
| PSA: | 20.23000 |
| LogP: | 1.70060 |
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| Conditions | Yield |
|---|---|
| With ammonium formate; palladium on activated charcoal In methanol for 2h; Ambient temperature; | 100% |
| With 20 % Pd(OH)2/C; hydrogen In methanol at 20℃; under 760.051 Torr; for 3h; | 70% |
- 22719-82-0
ethyl (m-tolyl)carbonate
- 108-39-4
3-methyl-phenol
| Conditions | Yield |
|---|---|
| With sodium hydrogen telluride In ethanol for 0.5h; Quantum yield; Heating; buffer: deoxygen. acetic acid; | 100% |
- 17902-31-7
(3-methylphenoxy)trimethylsilane
- 108-39-4
3-methyl-phenol
| Conditions | Yield |
|---|---|
| With water; potassium carbonate In ethanol at 75℃; for 10h; | 100% |
| With Nanoporous Na+-Montmorillonite Perchloric Acid In ethanol at 20℃; for 0.05h; | 91% |
- 18406-01-4
triethyl(3-methylphenoxy)silane
- 108-39-4
3-methyl-phenol
| Conditions | Yield |
|---|---|
| With water; potassium carbonate In ethanol at 75℃; for 10h; | 99% |
- 62790-75-4
1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methylbenzene
- 108-39-4
3-methyl-phenol
| Conditions | Yield |
|---|---|
| With water; potassium carbonate In ethanol at 75℃; for 12h; | 98% |
| With sodium cyanide In ethanol; water at 80℃; for 17h; chemoselective reaction; | 83.7% |
| With iodine In methanol for 22h; Ambient temperature; | 33% |
- 133921-27-4
4-iodo-3-methyl-phenol
- 108-39-4
3-methyl-phenol
| Conditions | Yield |
|---|---|
| With potassium carbonate; isopropyl alcohol; palladium diacetate; triphenylphosphine at 90℃; for 14h; | 98% |
- 17933-03-8
m-tolylboronic acid
- 108-39-4
3-methyl-phenol
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide at 20℃; for 0.166667h; Green chemistry; | 98% |
| With sodium perborate tetrahydrate In neat (no solvent) at 25℃; for 0.166667h; Green chemistry; | 98% |
| With solid poly(N-vinylpyrrolidone)-hydrogen peroxide complex (PVD-H2O2 complex) In dichloromethane at 20℃; regioselective reaction; | 97% |
| Conditions | Yield |
|---|---|
| With ammonium bicarbonate In water at 20℃; for 2h; Schlenk technique; | 97% |
- 144265-47-4
tetrahydro-2-(3-methylphenoxy)-2H-pyran
- 108-39-4
3-methyl-phenol
| Conditions | Yield |
|---|---|
| Stage #1: tetrahydro-2-(3-methylphenoxy)-2H-pyran With aluminium(III) triflate In methanol at 20 - 25℃; for 2h; Inert atmosphere; Stage #2: With water; sodium hydrogencarbonate In methanol; dichloromethane at 20 - 25℃; Inert atmosphere; | 96% |
| With methanol at 20℃; for 0.833333h; | 87% |
| Conditions | Yield |
|---|---|
| With copper dichloride In methanol; water for 3h; Heating; | 95% |
| With Tris buffer; water; alpha cyclodextrin at 25℃; under 1500120 Torr; Rate constant; pH 8.3; further pressures; meta and para specific hydrolysis catalyzed by α-CD, pressure effects on, pressure dependence of log k, activation volume for the acylation, ΔV of CD-complex formation; |
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Specification
The m-Cresol is an organic compound with the formula C7H8O. The IUPAC name of this chemical is 3-methylphenol. With the CAS registry number 108-39-4, it is also named as 1-hydroxy-3-methylbenzene. The product's category is Phenoles and Thiophenoles. Besides, it is colourless to light yellow liquid, which should be stored in a cool and ventilated place. It is used as a color film of the dye intermediates and for the production of fenitrothion, fenthion, metolcarb, permethrin and other pesticides. It is mainly used in pesticide, medicine, spices, resin, plasticizer, film and antioxidant.
Physical properties about m-Cresol are: (1)ACD/LogP: 2.043; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 21.03 ; (5)ACD/BCF (pH 7.4): 20.98; (6)ACD/KOC (pH 5.5): 307.93; (7)ACD/KOC (pH 7.4): 307.28; (8)#H bond acceptors: 1 ; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 32.959 cm3; (13)Molar Volume: 104.139 cm3; (14)Polarizability: 13.066 10-24cm3; (15)Surface Tension: 38.814998626709 dyne/cm ; (16)Density: 1.038 g/cm3; (17)Flash Point: 86.111 °C; (18)Enthalpy of Vaporization: 45.641 kJ/mol; (19)Boiling Point: 202.279 °C at 760 mmHg; (20)Vapour Pressure: 0.207000002264977 mmHg at 25°C
Preparation of m-Cresol: this chemical can be prepared by Bisabolangelon. This reaction will need reagent NH2OH*HCl, Na2CO3 and solvent ethanol, H2O. The reaction temperature is 50 °C. The yield is about 49%.
Uses of m-Cresol: it can be used to produce 2-hydroxy-6-methyl-benzaldehyde by heating. It will need reagent MgCl2, Et3N and solvent acetonitrile with reaction time of 4 hours. The yield is about 12%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical can cause burns and danger of very serious irreversible effects through inhalation and in contact with skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3;
(2)InChIKey=RLSSMJSEOOYNOY-UHFFFAOYSA-N;
(3)Smilesc1c(cccc1O)C;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | subcutaneous | 180mg/kg (180mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944. | |
| dog | LDLo | intravenous | 150mg/kg (150mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 56, 1959. | |
| frog | LDLo | subcutaneous | 250mg/kg (250mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935. | |
| guinea pig | LDLo | intraperitoneal | 100mg/kg (100mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935. | |
| guinea pig | LDLo | subcutaneous | 300mg/kg (300mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 56, 1959. | |
| mouse | LD50 | intraperitoneal | 168mg/kg (168mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 56, 1959. | |
| mouse | LD50 | oral | 828mg/kg (828mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974. | |
| mouse | LD50 | unreported | 600mg/kg (600mg/kg) | Gigiena Truda i Professional'naya Patologiya v Estonskoi SSR. Labor Hygiene and Occupational Pathology in the Estonian SSR. Vol. 8, Pg. 145, 1972. | |
| mouse | LDLo | subcutaneous | 450mg/kg (450mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935. | |
| rabbit | LD50 | skin | 2050mg/kg (2050mg/kg) | GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 3-5/1969, |
| rabbit | LDLo | intravenous | 280mg/kg (280mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944. | |
| rabbit | LDLo | oral | 1400mg/kg (1400mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944. | |
| rabbit | LDLo | subcutaneous | 500mg/kg (500mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935. | |
| rat | LC50 | inhalation | > 710mg/m3/1H (710mg/m3) | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 3-5/1969, | |
| rat | LD50 | oral | 242mg/kg (242mg/kg) | GASTROINTESTINAL: PERITONITIS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 3-5/1969, |
| rat | LD50 | skin | 1100mg/kg (1100mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974. | |
| rat | LDLo | subcutaneous | 900mg/kg (900mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 56, 1959. |