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| Product Name: | 2,5-Dimethylphenol | | Synonyms: | XYLENOL(2,5-);1,2,5-Xylenol;1,4-Dimethyl-2-hydroxybenzene;1-Hydroxy-2,5-dimethylbenzene;2,5-dimethyl-pheno;2,5-XYLENOL;2,5-DIMETHYLPHENOL;2,5-DMP | | CAS: | 95-87-4 | | MF: | C8H10O | | MW: | 122.16 | | EINECS: | 202-461-5 | | Product Categories: | Antioxidant;INTERMEDIATESOFGEMFIBROIL;Aromatic Phenols | | Mol File: | 95-87-4.mol |  |
| | 2,5-Dimethylphenol Chemical Properties |
| Melting point | 75-77 °C | | Boiling point | 212 °C(lit.) | | density | 0.971 g/mL at 25 °C(lit.) | | vapor pressure | 0.208 hPa (25 °C) | | refractive index | 1.5120 | | FEMA | 3595 | 2,5-XYLENOL | | Fp | 85 °C | | storage temp. | Store below +30°C. | | solubility | 3.54g/l slightly soluble | | pka | pK1:10.22 (25°C) | | form | Crystals | | color | slightly brown | | Odor | at 0.10 % in propylene glycol. sweet naphthyl phenolic smoke bacon | | Odor Type | phenolic | | biological source | synthetic | | explosive limit | 1.4%(V) | | Water Solubility | 1 g/100 mL (60 ºC) | | Merck | 14,10082 | | JECFA Number | 706 | | BRN | 1099260 | | Exposure limits | ACGIH: TWA 1 ppm | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3 | | InChIKey | NKTOLZVEWDHZMU-UHFFFAOYSA-N | | SMILES | Cc1ccc(C)c(O)c1 | | LogP | 2.34-2.6 at 25℃ | | CAS DataBase Reference | 95-87-4(CAS DataBase Reference) | | NIST Chemistry Reference | Phenol, 2,5-dimethyl-(95-87-4) | | EPA Substance Registry System | 2,5-Dimethylphenol (95-87-4) |
| Hazard Codes | T,N | | Risk Statements | 24/25-34-51/53 | | Safety Statements | 26-36/37/39-45-61 | | RIDADR | UN 2261 6.1/PG 2 | | WGK Germany | 3 | | RTECS | ZE5775000 | | TSCA | TSCA listed | | HazardClass | 6.1 | | PackingGroup | II | | HS Code | 29071400 | | Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | | Hazard Classifications | Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Chronic 2
Eye Dam. 1
Skin Corr. 1B | | Hazardous Substances Data | 95-87-4(Hazardous Substances Data) |
| | 2,5-Dimethylphenol Usage And Synthesis |
| Description | 2, 5-dimethylphenol (also known as 2, 5-xylenol, or p-xylenol, chemical formula: (CH3)2C6H3OH.) is a chemical compound as one of the six isomers of xylenol. It is found in alcoholic beverages, coffee and whisky. It is a kind of flavoring agent belonging to the family of Ortho Cresols. One of its applications is for the synthesis of Mexilethine. It has important industrial importance, e.g. for the manufacture of antioxidants. It is also a monomer for the poly (p-phenylene oxide) engineering resins through carbon-oxygen oxidative coupling. It is traditionally extracted from the coal tar.
| | References | https://en.wikipedia.org/wiki/2,6-Xylenol
https://en.wikipedia.org/wiki/Xylenol
https://pubchem.ncbi.nlm.nih.gov/compound/2_5-dimethylphenol#section=Top
| | Chemical Properties | WHITE TO CREAM COLORED CRYSTALS | | Chemical Properties | 2,5-Xylenol has a creosote, sweet, medicinal taste. | | Occurrence | Reported found in coffee, smoked fatty fish, processed lean fish, malt whiskey, Scotch blended whiskey, katsuobushi
(dried bonito) and kumazasa (Sasa albo-marginata). | | Uses | Used to make phenolic resins and (in isomeric mixtures) as an antioxidant for lubricating oils, gasoline, and elastomers. Also used as perfuming agents. | | Definition | ChEBI: 2,5-xylenol is a member of the class of phenols that phenol substituted by methyl groups at positions 2 and 5. It has a role as a volatile oil component and an animal metabolite. It derives from a hydride of a p-xylene. | | Aroma threshold values | Detection: 400 ppb | | Taste threshold values | Taste characteristics at 10 ppm: musty, chemical, stringent and phenolic. | | General Description | Colorless to off-white crystalline solid. Odor threshold concentration 0.4 mg/L. Taste threshold concentration 0.5 mg/L. | | Air & Water Reactions | 2,5-Dimethylphenol is hygroscopic. Insoluble in water. | | Reactivity Profile | 2,5-Dimethylphenol is incompatible with bases, acid chlorides, acid anhydrides and oxidizing agents. 2,5-Dimethylphenol corrodes steel, brass, copper and copper alloys. | | Health Hazard | Symptoms of exposure to this compound may include severe irritation and burns of the skin and eyes; irritation of the respiratory tract, dizziness, stomach pain, exhaustion, coma and damage to the liver or kidneys. Other symptoms include headache, nausea and vomiting. It may cause corrosion of the tissues of the mucous membranes and upper respiratory tract, eyes and skin. Inhalation may result in burning sensation, coughing, wheezing, laryngitis and shortness of breath. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi; chemical pneumonitis and pulmonary edema. Symptoms of exposure to this class of compounds include skin sensitization, profuse sweating, painless blanching or erythema of the skin, intense thirst, diarrhea, cyanosis from methemoglobinemia, hyperactivity, stupor, blood pressure fall, hyperpnea, abdominal pain, hemolysis and convulsions. If death from respiratory failure is not immediate, jaundice and oliguria or anuria may occur. | | Fire Hazard | Flash point data for 2,5-Dimethylphenol are not available. 2,5-Dimethylphenol is probably combustible. | | Safety Profile | Poison by ingestion.
Moderately toxic by an unspecified route.
When heated to decomposition it emits
acrid smoke and irritating fumes.
Questionable carcinogen with experimental
tumorigenic data. Used in disinfectants,
solvents, pharmaceuticals, plasticizers, and
wetting agents. See also other xylenol
entries. | | Purification Methods | Crystallise 2,5-xylenol from EtOH/ether. [Beilstein 6 IV 3164.] | | Toxics Screening Level | The initial threshold screening level (ITSL) for 2,5-dimethylphenol is being set at 0. 7 μg/m3 with annual averaging. |
| | 2,5-Dimethylphenol Preparation Products And Raw materials |
| Raw materials | 2,5-Dimethylaniline-->3,4-Dimethylphenol-->3-Methylanisole-->2,3-dimethylphenol-->Methanol-->m-Cresol-->2,6-Dimethylphenol-->alpha-methoxy-p-xylene-->2,2',5,5'-TETRAMETHYLBIPHENYL-->2,4-DIMETHYLANISOLE-->2-Fluoro-p-Xylene-->2,5-DIMETHYLANISOLE-->2,4-Dimethylphenol-->4-Methylbenzyl alcohol | | Preparation Products | Gemfibrozil-->2-Ethyl-5-methylanisole |
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