95-48-7
o-Cresol
CAS: 95-48-7
Molecular Formula: C7H8O
95-48-7 - Names and Identifiers
| Name | o-Cresol |
| Synonyms | o-Cresol 2-Cresol O-CRESOL FEMA 3480 O-METHYLPHENOL 2-METHYLPHENOL 2-Methylphenol O-CRESYLIC ACID 2-HYDROXYTOLUENE O-HYDROXYTOLUENE 2-Hydroxytoluene 1-Methyl-2-hydroxybenzene |
| CAS | 95-48-7 |
| EINECS | 202-423-8 |
| InChI | InChI=1/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 |
| InChIKey | QWVGKYWNOKOFNN-UHFFFAOYSA-N |
95-48-7 - Physico-chemical Properties
| Molecular Formula | C7H8O |
| Molar Mass | 108.14 |
| Density | 1.048 g/mL at 25 °C |
| Melting Point | 29-31 °C (lit.) |
| Boling Point | 191 °C (lit.) |
| Flash Point | 178°F |
| JECFA Number | 691 |
| Water Solubility | 20 g/L (20 ºC) |
| Solubility | 20g/l |
| Vapor Presure | 0.3 mm Hg ( 20 °C) |
| Vapor Density | 3.72 (vs air) |
| Appearance | Liquid or Low Melting Solid |
| Color | white to brown |
| Exposure Limit | NIOSH REL: TWA 2.3 ppm (10 mg/m3), IDLH 250 ppm; OSHA PEL: TWA 5ppm (22 mg/m3); ACGIH TLV: TWA for all isomers 5 ppm (adopted). |
| Merck | 14,2579 |
| BRN | 506917 |
| pKa | 10.2(at 25℃) |
| PH | 4.8 (20g/l, H2O, 20℃) |
| Storage Condition | under inert gas |
| Stability | Stable, but light and air sensitive. Combustible. Incompatible with oxidizing agents, bases. |
| Explosive Limit | 1.47%, 148°F |
| Refractive Index | 1.5361 |
| Physical and Chemical Properties | Character: colorless crystal. There is a smell of phenol. melting point 30.9 ℃ boiling point 191 ℃ relative density 1.0273 refractive index 1.5361 flash point 81 ℃ soluble in about 40 times of water (water solubility of 3% at 40 ℃, 100 deg C up to 5.3%). Soluble in caustic and almost all commonly used organic solvents |
| Use | Is an important intermediate of pesticide herbicides, but also used in the synthesis of coumarin, can also be used as disinfectants, preservatives, sebacic acid in the production of diluents |
95-48-7 - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | R24/25 - R34 - Causes burns R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 3455 6.1/PG 2 |
| WGK Germany | 1 |
| RTECS | GO6300000 |
| FLUKA BRAND F CODES | 8-23 |
| TSCA | Yes |
| HS Code | 29071200 |
| Hazard Class | 6.1 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 1.35 g/kg (Deichmann, Witherup) |
95-48-7 - Nature
Open Data Verified Data
colorless crystals. There is a smell of phenol. Flammable. Melting point 30.9 °c (30 °c). Boiling point 191 °c. Flash point 81 °c. Soluble in water about 40 times (water solubility of 40 deg C up to 3%,100 deg C up to 5.3%). Soluble in caustic and almost all commonly used organic solvents. The relative density was 1. 0273. Spontaneous ignition point 599. Refractive index 5361. Lower explosive limit in air 1.3% (volume).
Last Update：2024-01-02 23:10:35
95-48-7 - Preparation Method
Open Data Verified Data
- crude phenol was pre-dehydrated, and then subjected to primary distillation and vacuum distillation to obtain the finished product O-cresol.
- the phenol alkylation method is obtained by using phenol and methanol as raw materials, and performing methylation at a pressure of about 4. 14MPA in the presence of an aluminum oxide catalyst.
- diazotization and hydrolysis of o-toluidine.
- toluene hydroxylation method.
Last Update：2022-01-01 10:41:40
95-48-7 - Use
Open Data Verified Data
It can be used as a disinfectant in medicine, in the organic synthesis industry for the manufacture of resins, plasticizers, pesticides, two methyl four chlorine herbicides, spices and chemical reagents.
Last Update：2022-01-01 10:41:39
95-48-7 - Safety
Open Data Verified Data
- toxic. Mainly acts on the central nervous system, severe or even death. Cresol vapor or smoke can damage the skin, inhalation, can cause chronic nephritis and neurological disorders. The maximum allowable concentration in workplace air is 5 × 10 -6. Rat oral LD50 1350mg/kg. Production equipment should be closed, the operator should be equipped with protective equipment.
- packaged in galvanized iron drum, 180kg per barrel. Store in a cool, ventilated place. The hazardous materials shall be stored and transported according to the regulations.
Last Update：2022-01-01 10:41:40
95-48-7 - Reference Information
| FEMA | 3480 | O-CRESOL |
| olfactory Threshold | 0.00028ppm |
| Henry's Law Constant | 0.34 at 5.25 °C, 0.61 at 10.00 °C, 1.57 at 20.00 °C, 2.33 at 25.00 °C (dynamic equilibrium system-GC, Feigenbrugel et al., 2004a) |
| LogP | 1.95 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Overview | O-cresol, also known as O-cresol. Colorless liquid or crystalline. Miscible with alcohol, ether and chloroform. Soluble in sodium hydroxide solution. Slightly soluble in water. There is a smell of phenol. The color darkened upon exposure to air and sunlight. Toxic! Mainly acts on the central nervous system, severe or even death. |
| Application | O-cresol can be used in the manufacture of the herbicide dimethyltetrazole, the production of Sebacic acid diluent, disinfectant, pharmaceutical intermediates. It is also used in the production of resins, plasticizers, fragrances, dyes and Analytical reagents for the detection of nitrate and arsenic acid. |
| Application | is an important intermediate of pesticide herbicide, also used in the synthesis of coumarin, can also be used as disinfectant, antiseptic, the diluent in the production of Sebacic acid, etc. used in organic synthesis, also used as disinfectant and preservative used as analytical reagent, it is also used in organic synthesis GB 2760-1996 specified as the permitted use of flavorants. It is used for the manufacture of the herbicide, the diluent for the production of Sebacic acid, the disinfectant and the pharmaceutical intermediate. It is also used in the production of resins, plasticizers, fragrances, dyes and Analytical reagents for the detection of nitrate and arsenic acid. O-cresol is an intermediate of the herbicide 2me4 chloride, and is also the raw material of epoxy cresol and phenolic resin. synthetic pesticides (2me4cl), spices (salicylaldehyde), O-cresol aldehyde resin synthetic resin, can also be used for the production of pesticides dimethyl tetrachloro herbicides, medical disinfectants, spices and chemicals and antioxidants, etc |
| production method | the preparation method is phenol as raw material, using methanol as hydrocarbon agent, O-cresol can be prepared in the presence of a catalyst. Using a fixed bed tubular reactor, the reaction temperature is 335 ~ 360c, and the catalyst can be aluminum oxide or magnesium oxide, and the vanadium pentoxide-iron oxide can be used. In the reaction mixture obtained through the reactor, methanol, phenol, O-cresol and 2, 6-xylenol are fractionated, methanol and water are distilled first, and then phenol is removed and recovered, then the product is purified by distillation of O-cresol, the distillation pressure is 0.098 MPa, the temperature is 101~102 ℃, and the top of the column is distilled out of O-cresol, the content can reach more than 99.5%, the tower is 2,6-dimethyl phenol. O-cresol is also useful in the production of o-toluidine diazotization hydrolysis method. The cresol fraction cut from phenol oil obtained from coal coking contains O-cresol 6%, m-cresol 49.4%, P-cresol 32.1%, and also contains xylenol and a small amount of phenol. The boiling point of O-cresol is 10 ° C. Lower than that of P-cresol, and it is possible to separate them using a general distillation column. The O-cresol fraction cut from the crude phenol distillation is distilled in a distillation column of not less than 40 theoretical trays, the reflux ratio is 14-15:1, and the cut distillation range is 188-192 ℃, the refined O-cresol obtained has a melting point of about 29 ° C. And a purity of more than 97%. The synthesis method mainly has the following several kinds: 1. Phenol alkylation method is obtained by using phenol and methanol as raw materials, under the pressure of about 4.14MPa and in the presence of aluminum oxide catalyst. 2. O-toluidine method this method is used for reagent production, which is derived from diazotization and hydrolysis of o-toluidine. 3. Toluene hydroxylation method. The crude phenol was obtained by pre-dehydration followed by initial distillation followed by distillation under reduced pressure. |
| category | corrosive article |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 121 mg/kg; Oral-mouse LD50: 344 mg/kg |
| stimulation data | Skin-rabbits 524 mg/24 h severe; eye-rabbit 105 mg severe |
| explosive hazard characteristics | mixture with air, explosive at high temperature; For skin, corneal corrosivity |
| flammability hazard characteristics | flammable; Combustion-induced irritating smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant. |
| fire extinguishing agent | foam, water mist |
| Occupational Standard | TWA 22 mg/m3; Tel 44 mg/kg |
| spontaneous combustion temperature | 555°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentration | 250 ppm |
Last Update：2024-04-09 21:04:16
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