|
|
| | 2,6-Dimethylphenol Basic information |
| Product Name: | 2,6-Dimethylphenol | | Synonyms: | VIC-M-XYLENOL;1,2,6-Xylenol;1,3-Dimethyl-2-hydroxybenzene;2,6-DIMETHYLPHENOL, 1000MG, NEAT;2 6-XYLENOL 99+%;2,6-DIMETHYLPHENOL, 99.5+%;2,6-DIMETHYLPHENOL PESTANAL;2,6-Xylenlo | | CAS: | 576-26-1 | | MF: | C8H10O | | MW: | 122.16 | | EINECS: | 209-400-1 | | Product Categories: | Phenoles and thiophenoles;Aromatic Phenols;K00001 | | Mol File: | 576-26-1.mol |  |
| | 2,6-Dimethylphenol Chemical Properties |
| Melting point | 43-45 °C(lit.) | | Boiling point | 203 °C(lit.) | | density | 1.15 | | vapor pressure | 0.2 hPa (20 °C) | | refractive index | 1.5371 | | FEMA | 3249 | 2,6-XYLENOL | | Fp | 173 °F | | storage temp. | Store below +30°C. | | solubility | 8g/l | | pka | pK1:10.59 (25°C) | | form | Low Melting Solid | | color | Colorless to yellow-brownish | | PH | 6-7 (8g/l, H2O, 20℃) | | Odor | at 0.10 % in propylene glycol. sweet medicinal phenolic rooty coffee | | Odor Type | medicinal | | biological source | synthetic | | explosive limit | 1.4%(V) | | Water Solubility | 10 g/L (20 ºC) | | Merck | 14,10082 | | JECFA Number | 707 | | BRN | 1446677 | | Henry's Law Constant | 1.6×100 mol/(m3Pa) at 25℃, Brockbank (2013) | | Exposure limits | ACGIH: TWA 1 ppm | | Stability: | Stable. Very flammable. Incompatible with oxidizing agents, acid chlorides, acid anhydrides, steel, copper, copper alloys, bases, acid chlorides. | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 | | InChIKey | NXXYKOUNUYWIHA-UHFFFAOYSA-N | | SMILES | Cc1cccc(C)c1O | | LogP | 2.3 at 20℃ | | CAS DataBase Reference | 576-26-1(CAS DataBase Reference) | | NIST Chemistry Reference | Phenol, 2,6-dimethyl-(576-26-1) | | EPA Substance Registry System | 2,6-Dimethylphenol (576-26-1) |
| 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 | 2 | | RTECS | ZE6125000 | | Autoignition Temperature | 555 °C | | 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
STOT SE 3 | | Hazardous Substances Data | 576-26-1(Hazardous Substances Data) | | Toxicity | LD50 orally in Rabbit: 296 mg/kg LD50 dermal Rabbit 1000 mg/kg |
| | 2,6-Dimethylphenol Usage And Synthesis |
| Chemical Properties | colourless crystals or white powder. soluble in alcohol, ether, chloroform, benzene and alkali solution, slightly soluble in water. | | Occurrence | Reported found in smoked fatty fish, boiled and cooked cured pork, rum, malt whiskey, Japanese whiskey,
coffee, katsuobushi (dried bonito) and lamb’s lettuce (Valerianella locusta). | | Uses | Similar to other xylenol compounds, 2,6-dimethylphenol is used in the synthesis of anti-oxidant compounds due to the phenol moiety in the structure. In addition, this compound is used as a a reactant
in the synthesis of polyphenylene ether polymers. | | Preparation | From coal tar oil or coal hydrogenation.
Synthesis of 2,6-dimethylphenol: The gas-phase catalytic reaction of phenol and methanol is carried out, and then purified by rectification, and the product purity can reach more than 99%.
Selective phenol methylation to 2,6-dimethylphenol in a fluidized bed of iron-chromium mixed oxide catalyst with o–cresol circulation
Catalytic synthesis of 2,6-dimethylphenol from methanol and cyclohexanone over titanium oxide-supported vanadium oxide catalysts | | Application | 2,6-dimethylphenol is generally applied in industry as a monomer in polymerization reaction. For the production of polyphenylene ether resins, polyester and polyether resins. | | Definition | ChEBI: 2,6-Dimethylphenol is a hydroxytoluene. | | Aroma threshold values | Detection: 400 ppb | | General Description | 2,6-dimethylphenol is a colorless to off-white crystalline solid with a sweet tarry odor. Odor threshold concentration: 0.4 mg/L . (NTP, 1992) | | Air & Water Reactions | Insoluble in water | | Reactivity Profile | 2,6-Dimethylphenol is incompatible with bases, acid chlorides, acid anhydrides, and oxidizing agents. Corrodes steel, brass, copper, and copper alloys. | | Fire Hazard | 2,6-Dimethylphenol is combustible. | | Flammability and Explosibility | Non flammable | | Purification Methods | Fractionally distil 2,6-xylenol under nitrogen, crystallise it from *benzene or hexane, and sublime it at 38o/10mm. [Beilstein 6 IV 3122.] | | Toxics Screening Level | The initial threshold screening level (ITSL) for 2,6-dimethylphenol is being set at 2 μg/m3 with 24-hour averaging. |
| | 2,6-Dimethylphenol Preparation Products And Raw materials |
| Raw materials | o-Cresol-->Silane, (1,1-dimethylethyl)(2,6-dimethylphenoxy)dimethyl--->2,6-Dimethylphenylboronic acid-->4-Hydroxy-3,5-dimethylbenzoic acid-->2,6-DIMETHYLANISOLE-->2-Chloro-1,3-dimethylbenzene-->2-Iodo-1,3-dimethylbenzene-->2-Bromo-m-xylene-->2,3-dimethylphenol | | Preparation Products | o-Cresol-->2,6-Dimethylaniline-->3,4-Dimethylphenol-->3,5-Dimethylphenol-->(2,6-DIMETHYLPHENOXY)ACETOXIME-->1-(2,6-DIMETHYLPHENOXY)ACETONE-->1-(2,6-DIMETHYLPHENOXY)-2-PROPANOL-->1-(2,6-Dimethylphenoxy)-2-propanamine-->3,5-Dimethyl-4-hydroxybenzaldehyde-->4-cyclohexyl-2,6-xylenol |
|