HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,5-Dimethylphenol
2,5-XYLENOL · FEMA 3595 · 2,5-DMP · PARA-XYLENOL · 1,2,5-Xylenol · P-XYLENOL · 3,6-Xylenol · XYLENOL(2,5-)
Identifiers & Physical Properties
| CAS No. | 95-87-4 |
|---|---|
| Molecular formula | C8H10O |
| Average molar mass | 122.16 g/mol |
| Monoisotopic mass | 122.07316494 g/mol |
| SMILES | Cc1ccc(C)c(O)c1 |
| InChIKey | NKTOLZVEWDHZMU-UHFFFAOYSA-N |
| PubChem CID | 7267 |
| ChEMBL | CHEMBL192591 |
| ChEBI | CHEBI:191381 |
| EC No. | 202-461-5 |
| DTXSID | DTXSID6025145 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 90.6 |
| Chemical classes | Other Classes -> Phenols |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Fragrances | Fragrance Ingredient (2,5-Xylenol) -> IFRA transparency List |
| LogP (partition coefficient) | log Kow= 2.332.48 |
| Taste | 0.5 mg/l (taste threshold concn) |
| Food additives | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 0.971 (NTP, 1992) - Less dense than waterwill float0.965 AT 80 °C0.971 g/mL at 25 °C(lit.) |
| Flavoring agents | EU Flavoring substances |
| Viscosity | 1.55 mN.s.m-2 at 80 °C |
| Color/Form | Crystals from alcohol plus etherNEEDLES FROM WATERPRISMS FROM ALCOHOL-ETHER |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992)Sol in ethyl alcoholvery sol in ethyl ethersl sol in chloroformVery sol in benzeneIn water, 3.54X10+3 mg/l @ 25 °C.2.6 x 10 (-2) mol/l, at pH 5.1 and 25 °C.3.54 mg/mL at 25 °C3.54g/l slightly soluble1 g/100 mL (60 ºC) |
| Boiling point | 414 °F at 760 mmHg (NTP, 1992)211.5 °C @ 762 mm Hg211.00 to 212.00 °C. @ 760.00 mm Hg211-212 °C212 °C(lit.) |
| Melting point | 75-77 °C |
| Vapor pressure | 0.208 hPa (25 °C) |
| FEMA | 3595 | 2,5-XYLENOL |
| Refractive index | 1.5120 |
| FLAVIS Number | 04.019 | 2,5-Dimethylphenol |
| Flash point | 85 °C |
| Storage conditions | Store below +30°C. |
| Physical state | Crystals |
| pKa (acidity coefficient) | pK1:10.22 (25°C) |
| Color | slightly brown |
| Odor | at 0.10 % in propylene glycol. sweet naphthyl phenolic smoke bacon |
| Odor type | phenolic |
| Biological source | synthetic |
| Explosive limits | 1.4%(V) |
| Merck | 14,10082 |
| JECFA Number | 706 |
| BRN | 1099260 |
| Henry's law constant | 8.2×100 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 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 (partition coefficient) | 2.34-2.6 at 25℃ |
| Substances Added to Food (formerly EAFUS) | 2,5-XYLENOL |
| CAS DataBase Reference | 95-87-4(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | XH3E3564KX |
| NIST Chemistry Reference | Phenol, 2,5-dimethyl-(95-87-4) |
| EPA Substance Registry System | 2,5-Dimethylphenol (95-87-4) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS05,GHS06,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H301+H311-H314-H411 |
| GHS precautionary statements | P501-P273-P260-P270-P264-P280-P391-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P405 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | T,N |
| Risk statements (R) | 24/25-34-51/53 |
| Safety statements (S) | 26-36/37/39-45-61 |
| UN transport number | UN 2261 6.1/PG 2 |
| Water hazard class (WGK) | 3 |
| RTECS number | ZE5775000 |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Skin Corr. 1B |
| Packing group | II |
| Customs code | 29071400 |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Hazardous substances data | 95-87-4(Hazardous Substances Data) |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)H301 (99.8%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatory information | Chemical: Phenol, 2,5-dimethyl-Regulation (EC) No 1831/2003 (amended)Phenol, 2,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 17-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23775Phenol, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Other safety information | IMAP assessments - Xylenols: Human health tier II assessment |
| DOT label | Poison |
| Fire hazards | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| Health hazards | SYMPTOMS: Symptoms of exposure to this compound may include severe irritation and burns of the skin and eyesirritation 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 bronchichemical 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. |
| Hazards summary | Causes ataxia and convulsions in lethal-dose feeding studies[RTECS] Corrosive to tissuesInhalation may cause laryngeal spasm, edema of the bronchi, and chemical pneumonitisMay induce methemoglobinemiaChronic exposure may cause liver and kidney damage[CAMEO] Safe when used as a flavoring agent in food[JECFA] Toxic by ingestion and skin contactMay cause burns[eChemPortal: ESIS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitisMay be absorbed through skin[MSDSonline] As the six dimethylphenol isomers and the mixed isomer substance are generally similar in toxicity, a common TLV for these substances is appropriate. . . . In mice, oral exposure to 250 mg/kg/day produced changes in blood parameters including statistically significant decreases in mean corpuscular volume and mean corpuscular hemoglobin concentration (4 and 3% reduction in mean values, respectively. . . . Available data on skin sensitization from exposure to dimethylphenol are mixed but warrant the addition of a DSEN notation. . . . All six dimethylphenol isomers were tested in a mouse local lymph node assay and the results found 2.4, 2,5, and 3,4-dimethylphenol to be positive for skin sensitization. There are no epidemiology studies. In a case report, ingestion of about 250 ml of a mixture of dimethylphenol isomers resulted in CNS depression, hypotension, and death. [ACGIH] See Phenol. |
| Reactive group | Phenols and Cresols |
| Special Reports | EPA. EPA/600/8-88/031 p.30 (1987). Health effects assessment for dimethylphenols.Center for Chemical Hazard Assessment SRC TR 81-527, Second draft (1981). Information profiles on potential occupational hazards: xylenols. |
| Reactivity Profile | 2,5-DIMETHYLPHENOL is incompatible with bases, acid chlorides, acid anhydrides and oxidizing agents. It corrodes steel, brass, copper and copper alloys. (NTP, 1992) |
| DOT Emergency Guidelines | /GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXICinhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /XylenolsXylenols, liquidXylenols, solid//GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Xylenols/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Xylenols/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLYit is not effective in spill situations where direct contact with the substance is possible. /XylenolsFor more DOT Emergency Guidelines (Complete) data for 2,5-DIMETHYLPHENOL (8 total), please visit the HSDB record page. |
| Air and Water Reactions | This chemical is hygroscopic. Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 3 (99.8%)Acute toxicity - category 3Acute toxicity (Oral) - Category 4Acute Tox. 3 * |
| Fire fighting | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| First aid | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Cleanup methods | FOUNDRY PLANT WASTE GASES WERE DEODORIZED WITH POTASSIUM PERMANGANATE, AND DEODORIZATION EFFICIENCY WAS MEASURED BY PRESENCE OF 2,5-XYLENOL IN SCRUBBED WASTE GASES. |
| Nonfire spill response | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Disposal methods | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.Chemical Treatability of 2,5-DimethylphenolConcentration Process: Biological treatmentChemical Classification: PhenolsScale of Study: UnknownType of Wastewater Used: Pure compound (one solute in a solvent)Results of Study: 94.5% reduction based on chemical oxygen demandrate of biodegradation 10.6 mg chemical oxygen demand/g hr (activated sludge process). |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Threshold Limit Values (TLV) | 1.0 [ppm], inhalable fraction and vapor |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.Some data suggesting breakthrough times /for butyl rubber/ of approximately an hour or more. /Aromatic hydroxyl cmpd/Breakthrough times /for neoprene/ greater than one hour reported by (normally) two or more testers. /Aromatic hydroxyl cmpd/Breakthrough times / for polyvinyl alcohol/ less (usually significantly less) than one hour reported by (normally) two or more testers. /Aromatic hydroxyl cmpd/ |
| Interactions | A SPONTANEOUSLY DEVELOPING VASOCONSTRICTION IN ISOLATED PERFUSED LUNG AND THE VASOCONSTRICTION CAUSED BY ARTERIALLY INJECTED ATP (50 UG) WERE BOTH INHIBITED BY THE ADDITION TO THE PERFUSATE OF VARIOUS PHENOLS INCLUDING 2,5-XYLENOL. |
| Ecotoxicity values | LC50 Salmo gairdneri (rainbow trout) 3.2-5.6 mg/l/96 hr /Static bioassay/LC50 Daphnia magna (cladoceran) 10.0 mg/1/48 hr /Static bioassay/ |
| Environmental fate | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 440(SRC), determined from a log Kow of 2.33(2) and a regression-derived equation(3), indicates that 2,5-dimethylphenol is expected to have moderate mobility in soil(SRC). Volatilization of 2,5-dimethylphenol from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 7.1X10-6 atm-cu m/mole(SRC), determined from its vapor pressure of 0.156 mm Hg(4) and water solubility of 3540 mg/l(5). 2,5-Dimethylphenol is not expected to volatilize from dry soil surfaces based upon its vapor pressure(3). 2,5-Dimethylphenol has been reported to biodegrade in soil in 14 days at a temperature of 19 °C(6). Biodegradation under anaerobic conditions failed to occur in one study using a river sediment inoculum, time unspecified(7), yet 55% degradation occurred after 8 weeks in another study using a contaminated groundwater digester(8).AQUATIC FATE: Based on a classification scheme(1), a Koc value of 440(SRC), determined from a log Kow of 2.33(2) and a regression-derived equation(3), indicates that 2,5-dimethylphenol is expected to adsorb very little to suspended solids and sediment in water(SRC). 2,5-Dimethylphenol is expected to volatilize from water surfaces(3,SRC) based upon an estimated Henry's Law constant of 7.1X10-6 atm-cu m/mole(SRC), determined from its vapor pressure of 0.156 mm Hg(4) and water solubility of 3540 mg/l(5). Estimated volatilization half-lives for a model river and model lake are 6 days and 46 days, respectively(3,SRC). According to a classification scheme(6), an estimated BCF of 35(3,SRC), from 2,5-dimethylphenol's log Kow(2), suggests bioconcentration in aquatic organisms is moderate(SRC). In humic waters, degradation by the reaction with peroxy radicals should ensue with a half-life on the order of hours(7). 2,5-Dimethylphenol is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3). The rate of biodegradation obtained for 2,5-dimethylphenol in a screening test with an adapted activated sludge seed was 94.5% chemical oxygen demand after 5 days(8). In addition, it has been reported that 2,5-dimethylphenol was readily degraded in St. Lawrence River water(9). Biodegradation under anaerobic conditions failed to occur in one study, time unspecified(10), yet 55% degradation occurred after 8 weeks in another study(11).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2,5-dimethylphenol, which has a vapor pressure of 0.156 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2,5-dimethylphenol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 4.8 hours(SRC) from its rate constant of 8.00X10-11 cu cm/molecule-sec at 25 °C(3). Atmospheric 2,5-dimethylphenol is known to be removed by rainwater(4). 2,5-Dimethylphenol has an absorption band at 276 nm (alcohol-ether), and a shoulder may extend over 290 nm, thus making it a candidate for direct photochemical degradation(5,6). Night-time degradation in urban areas should occur rapidly through reaction with atmospheric nitrate radicals, as rate constants for this reaction with phenolic compounds are approximately 250 times faster than with hydroxyl radicals(7,SRC). |
| Food survey values | 2,5-Dimethylphenol was identified as a volatile component of fresh tree-ripened apricots (Prunus armeniaca L.) with a concn of 33 mg/kg fresh fruit tissue(1). 2,5-Dimethylphenol was identified as a volatile flavor component of the Japanese dried food, Bonito(2). |
| Adverse effects | Neurotoxin - Other CNS neurotoxin |
| Effluent Concentrations | 2,5-Dimethylphenol was identified in Los Angeles County, CA effluent (1980-81) at 10 ug/l(1). Waste water from the gasification of Indian Head lignite coal in North Dakota was determined to have an estimated 2,5-dimethylphenol concentration of 358 mg/l(2). 2,5-Dimethylphenol was detected but not quantified in low temperature carbonization wastewater collected in Naspur, India(3). |
| Soil Adsorption/Mobility | The Koc of 2,5-dimethylphenol is estimated as 440(SRC), using a log Kow of 2.33(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,5-dimethylphenol is expected to have moderate mobility in soil(SRC). |
| Natural Pollution Sources | 2,5-Dimethylphenol has been found in tobacco(1-3) and marijuana mainstream smoke(3), and black tea(4). |
| Atmospheric Concentrations | URBAN/SUBURBAN: In 1984, a gas phase concn of 2,5-dimethylphenol was detected in 7 of 7 rain events in Portland, OR, at concns ranging from 15-70 ng/cu m, averaging 33 ng/cu m, analyzed as a mixture with 2,4-dimethylphenol(1). The amount associated with adsorption to particulate matter was <5% of the gas phase concn in every case(1). Not detected in either rural or urban air samples (detection limit = 0.05 ug/cu m)(2). SOURCE DOMINATED: Although found in gasoline and diesel motor exhaust, it was not detected in an Allegheny Mountain highway tunnel(3). |
| Human Toxicity Excerpts | TOXIC BY INGESTION AND SKIN ABSORPTION. /COMMERCIAL MIXTURES/LISTED AS A TUMOR PROMOTER. /FROM TABLE/ |
| Artificial Pollution Sources | /SRP/: 2,5-DIMETHYLPHENOL IS A CONSTITUENT OF ... AUTOMOBILE EXHAUST, AND SHALE OIL WASTE WATER.2,5-Dimethylphenol's use for the preparation of coal tar disinfectants (1), in the manufacture of artificial resins(1), as a constituent of coal tar creosote (0.7 wt%)(2), as a raw material for antioxidants in gasoline and rubber(3), and as a component of automobile and diesel exhaust(4-7) may result in its release to the environment through various waste streams(SRC). Dimethylphenols, of which 2,5-dimethylphenol is an isomer, are components of disinfectants, solvents, pharmaceuticals, insecticides, fungicides, plasticizers, rubber chemicals, additives to lubricants and gasolines, wetting agents and dyestuffs(8). |
| Environmental Biodegradation | ANAEROBIC DEGRADATION OF PHENOLIC COMPOUNDS TO METHANE AND CARBON DIOXIDE IN SEWAGE SLUDGE DIGESTION OCCURRED IN BOTH GROUND WATER AND LABORATORY DIGESTORS. WATER SAMPLES WERE COLLECTED FROM THE NEAR SURFACE GROUND WATER IN AN AREA CONTAMINATED WITH PLANT PROCESS WASTES RESULTING FROM OPERATION OF A COAL TAR DISTILLING AND WOOD TREATING PLANT. PHENOLIC COMPOUNDS (INCLUDING 2,5-DIMETHYLPHENOL) WERE ISOLATED FROM THE AQUEOUS SAMPLES BY DICHLOROMETHANE EXTRACTION.... Adapted activated sludge at 20 °C, product is sole carbon source: 94% chemical oxygen demand removal at 11 mg chemical oxygen demand/g dry inoculum/hr ... .In shake flask studies, an initial 2,5-dimethylphenol concentration of 0.1 ug/ml was reduced to below detection following 2 weeks incubation in contaminated groundwater from the American Creosote Works Superfund site, Pensacola, FL(1). 2,5-Dimethylphenol was readily degraded in St. Lawrence River water(2). 2,5-Dimethylphenol completely biodegraded in 14 days within a hard, carbonaceous woody loam at 19 °C(3). Using a biological treatment simulator, 11.2% theoretical oxygen demand after 10 days was obtained for 2,5-dimethylphenol from a coal gasification waste water feed and an acclimated sludge seed(4). The rate of biodegradation obtained for 2,5-dimethylphenol in a screening test with an adapted activated sludge seed was 94.5% chemical oxygen demand loss after 5 days(5). In a biological treatment simulator using an activated sludge seed, 2,5-dimethylphenol underwent 78% chemical oxygen demand removal afer 40 daysat 50 days, no further degradation had ensued(6).ANAEROBIC: In a screening test using a mixed culture sewage seed and substrate concns of 100, 300, and 500 mg/l, anaerobic degradation did not occur(1). However, in another study, 2,5-dimethylphenol, at an initial concn of 5.44 mg/l, underwent 55% degradation when incubated in coal tar-contaminated groundwater in an anaerobic digester for 8 weeks(2). |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | ZE5775000 |
| UN transport number | UN 2261 6.1/PG 2 |
| Customs code | 29071400 |
| Risk statements (R) | 24/25-34-51/53 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS06,GHS09 |
| Hazard symbols | T,N |
| Safety statements (S) | 26-36/37/39-45-61 |
| Hazard class | 6.1Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Skin Corr. 1B |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Packing group | II |
| GHS hazard statements | H301+H311-H314-H411 |
| REACH registrations | Active |
| GHS precautionary statements | P501-P273-P260-P270-P264-P280-P391-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P405 |
| Hazardous substances data | 95-87-4(Hazardous Substances Data) |
Applications & Uses
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.
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.
General Description
Colorless to off-white crystalline solid. Odor threshold concentration 0.4 mg/L. Taste threshold concentration 0.5 mg/L.