2,4-Dimethylphenol
2,4-Dimethylphenol
CAS: 105-67-9
Molecular Formula: C8H10O
2,4-Dimethylphenol - Names and Identifiers
| Name | 2,4-Dimethylphenol |
| Synonyms | gallex 2,4-Xylenol 1,2,4-Xylenol 2,4-Dimethylphenol 1,3-Dimethyl-4-hydroxybenzene 1-Hydroxy-2,4-dimethylbenzene epapesticidechemicalcode086804 gable-titedarkcreosote(creola) ducorconcentratedflyinsecticide gable-titelightcreosote(creola) |
| CAS | 105-67-9 |
| EINECS | 203-321-6 |
| InChI | InChI=1/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3 |
| InChIKey | KUFFULVDNCHOFZ-UHFFFAOYSA-N |
2,4-Dimethylphenol - Physico-chemical Properties
| Molecular Formula | C8H10O |
| Molar Mass | 122.16 |
| Density | 1.011g/mLat 25°C(lit.) |
| Melting Point | 22-23°C(lit.) |
| Boling Point | 211-212°C(lit.) |
| Flash Point | 205°F |
| Water Solubility | 0.5 g/100 mL (25 ºC) |
| Solubility | 5.0g/l |
| Vapor Presure | 0.1 mm Hg ( 25 °C) |
| Appearance | Liquid |
| Color | Clear colorless to yellow |
| Merck | 14,10082 |
| BRN | 636244 |
| pKa | pK1:10.58 (25°C) |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.4%(V) |
| Refractive Index | n20/D 1.538(lit.) |
| Physical and Chemical Properties | Colourless needles, used as insecticide and disinfectant. |
2,4-Dimethylphenol - Risk and Safety
| Risk Codes | R24/25 - R34 - Causes burns R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S36/37 - Wear suitable protective clothing and gloves. S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. |
| UN IDs | UN 2261 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | ZE5600000 |
| TSCA | Yes |
| HS Code | 29071400 |
| Hazard Class | 6.1 |
| Packing Group | II |
| Toxicity | Acute oral LD50 for mice 809 mg/kg, rats 3,200 mg/kg (quoted, RTECS, 1985). |
2,4-Dimethylphenol - Reference Information
| Henry's Law Constant | 42.8(x 10-6 atm?m3/mol) at 75.9 °C, 74.0 at 88.7 °C, 113.0 at 98.5 °C (VLE circulation still-UV spectrophotometry,Dohnal and Fenclová, 1995) |
| LogP | 2.61 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 2, 4-dimethylphenol can be used as an intermediate in organic synthesis and a pharmaceutical intermediate, it can be used to synthesize an asymmetric hindered phenol antioxidant and bulk drug vortioxetine. |
| preparation | CN201810102442.5 provides a separation process for extracting 2, 4-dimethylphenol from crude phenol. The specific steps are as follows:(1) distillation separation-using crude phenol as raw material and preheating method, m-cresol and p-cresol are separated from the top of the distillation column by continuous distillation, 4-dimethyl phenol, 2,5-dimethyl phenol and high boiling substance, enter the second step of distillation and separation;(2) distillation and separation: continuously pump the materials in the distillation and separation tower into the second column of distillation and separation, and adopt preheating method, 2,4-dimethyl phenol and 2,5-dimethyl phenol are continuously produced at the top of the column by continuous distillation method, which is used for the alkylation synthesis of three steps;(3) alkylation synthesis of three distillation separation of 2,4-dimethyl phenol and 2,5-dimethyl phenol as raw materials, the use of solid super acid ZSM-5 as Catalyst, the use of solid bed, the amount of 5%, excess isobutylene, reaction temperature 60~65 ℃, reaction pressure 0.1MPa, the formation of mono-tert 2, 4-dimethylphenol and mono-tert-butyl 2, 5-dimethylphenol;(4) distillation separation of four mono-tert -2, 4-dimethylphenol and mono-tert-butyl 2, 5-dimethylphenol by preheating, through continuous distillation separation, through the top of the column to take out mono-tert-butyl 2,4-dimethyl phenol, enter the five steps of Deene separation, distillation and separation of four tower kettle The resulting mono-tert-butyl 2, 5-dimethylphenol enters into the six steps of Deene separation;(5) Deene separation: 5. The single-tert-butyl 2 produced at the top of the four columns is separated by distillation, 4-dimethyl phenol as raw material, add 0.1% sulfuric acid, temperature 130~150 ℃, Deene isobutylene, back alkylation synthesis of three steps to use, Deene 2,4-dimethyl phenol, purity ≥ 99.9%. |
| Use | used as solvent, bactericide; Synthetic antioxidant (inhibitor) TBX used as preservative, and for organic synthesis |
| production method | is derived from M-xylene by sulfonation, salting-out, alkali fusion and acidification. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 3200 mg/kg; Oral-mouse LD50: 809 mg/kg |
| flammability hazard characteristics | flammable; Toxic chloride gas from combustion |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature, separate storage and transportation of oxidant |
| fire extinguishing agent | carbon dioxide, sand, foam, dry powder |
| spontaneous combustion temperature | 480°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-24 15:03:41
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