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Mesitylene
1,3,5-トリメチルベンゼン · 1,3,5-トリメチルベンゼン (1mg/mlメタノール溶液) [水質分析用] · syn-トリメチルベンゼン · sym-トリメチルベンゼン · 2,4,6-トリメチルベンゼン · １，３，５トリメチルベンゼン · 1,3,5-トリメチルベンゼン(メシチレン) · 1,3,5-トリメチルベンゼン (MESITYLメシチレンSOOCTANE (1000ΜG/ML)
識別子と物理属性
| CAS No. | 108-67-8 |
|---|---|
| 分子式 | C9H12 |
| 平均分子量 | 120.19 g/mol |
| 単同位体質量 | 120.09390038 g/mol |
| SMILES | Cc1cc(C)cc(C)c1 |
| InChIKey | AUHZEENZYGFFBQ-UHFFFAOYSA-N |
| PubChem CID | 7947 |
| ChEMBL | CHEMBL1797281 |
| ChEBI | CHEBI:34833 |
| EC No. | 203-604-4 |
| DTXSID | DTXSID6026797 |
| 現地名 | メシチレン |
化学・物理的性質
| XLogP | 3.4 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 0 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 55 |
| 物質分類 | Volatile Organic Compound (VOC) |
| Solvents | Solvents -> Aromatic Solvents |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 香料 | Fragrance Ingredient (Benzene, 1,3,5-trimethyl-) -> IFRA transparency List |
| 農薬 | Pesticide -> EPA IRIS |
| LogP（分配係数） | log Kow = 3.423.84 |
| 臭い | Peculiar odorDistinctive, aromatic odorSweet odor |
| 密度 | 0.86 (NIOSH, 2024) - Less dense than waterwill float0.8637 at 20 °C/4 °CRelative density (water = 1): 0.860.8615 @25 °C0.864 g/mL at 25 °C(lit.) |
| Color/Form | Clear, colorless liquid |
| 溶解度 | 0.002 % (NIOSH, 2024)Miscible with alcohol, ether, benzeneMiscible in ethanol, ethyl ether, acetoneMiscible with oxygenated and aromatic solvents.In water, 48.2 mg/L at 25 °C0.0482 mg/mL at 25 °Cアルコール、ベンゼン、エーテル (Windholz et al., 1983) およびトリメチルベンゼン異性体と混和する。2.9g/L(20℃) |
| 引火点 | 122 °F (NIOSH, 2024)122 °F (50 °C) (Closed cup)50 °C c.c.112 °F |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 融点 | -45 °C |
| 沸点 | 163-166 °C(lit.) |
| 蒸気密度 | 4.1 (vs air) |
| 蒸気圧 | 14 mm Hg ( 55 °C) |
| 屈折率 | n20/D 1.499(lit.) |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | >14 (Schwarzenbach et al., 1993) |
| 色 | 無色透明 |
| 爆発限界 | 0.88-6.1%, 100°F |
| 臭気閾値 | 0.17ppm |
| 比熱容量 | Cp(liquid): 1.74 J/(g·K), at 25℃ |
| Merck | 14,5907 |
| BRN | 906806 |
| ヘンリー定数 | 4.03, 4.60, 5.71, 6.73, and 9.63 at 10, 15, 20, 25, and 30 °C, respectively (EPICS, Ashworth et al.,1988) |
| 誘電率 | 3.4(Ambient) |
| 安定性 | 安定。可燃性。強力な酸化剤とは相容れない。 |
| 主な用途 | 環境 |
| 化粧品成分の機能 | 溶媒 |
| InChI | 1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 |
| InChIKey | AUHZEENZYGFFBQ-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)cc(C)c1 |
| LogP（分配係数） | 3.42 at 20℃ |
| 表面張力 | 28.05mN/m at 298.15K |
| CAS データベース | 108-67-8(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzene, 1,3,5-trimethyl-(108-67-8) |
| EPAの化学物質情報 | 1,3,5-Trimethylbenzene (108-67-8) |
化学的特性
Mesitylene is a clear, colorless liquid. Distinctive, aromatic odor.
安全性と法規制
| GHS 分類 | WarningH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P303+P361+P353, P304+P340, P319, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (2 of 2655) of reports.DangerH226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 規制情報 | Chemical: Benzene, 1,3,5-trimethyl-Hazard Traits - Nephrotoxicity and Other Toxicity to the Urinary SystemNeurotoxicityBenzene, 1,3,5-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3,5-trimethyl- 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: 17-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/9977Benzene, 1,3,5-trimethyl-: HSNO Approval: HSR001229 Approved with controls |
| 輸送ラベル（DOT） | Flammable Liquid |
| 火災危険 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Flammable. Above 50 °C explosive vapour/air mixtures may be formed. |
| 火災の可能性 | MODERATE, VIA HEAT, FLAMES, OXIDIZERS |
| 健康有害性 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| 有害性の概要 | A skin, eye, nose, throat and respiratory tract irritant[Merck Index] A skin, eye, and respiratory tract irritantDefats the skinMay have effects on the central nervous system and blood[ICSC] A skin, eye, and respiratory tract irritant[HSDB] A nose, throat, and lung irritantInhalation of high concentrations can cause CNS depression[CHEMINFO] A respiratory tract irritant[eChemPortal: ESIS] See Trimethyl benzene isomers. |
| 輸送番号・ガイド（DOT） | 2325 129 |
| 反応性グループ | Hydrocarbons, Aromatic |
| EC 分類 | Symbol: Xi, NR: 10-37-51/53S: (2)-61 |
| UN 分類 | UN Hazard Class: 3UN Pack Group: III |
| TSCA 要件 | Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,3,5-Trimethylbenzene is included on this list. Effective date: 2/13/1984Sunset date: 2/13/1994.A testing consent order is in effect for 1,3,5-trimethylbenzene for health effects testing. FR citation: FR 59681 11/10/1993. |
| Reactivity Profile | 1,3,5-TRIMETHYLBENZENE is incompatible with the following: Oxidizers, nitric acid (NIOSH, 2024). |
| 消火 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:Use alcohol-resistant foam, dry powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| 応急処置措置 | Fresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Do NOT induce vomiting. Refer for medical attention . |
| 漏出応急措置 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| 応急処置 | Excerpt from NIOSH Pocket Guide for 1,3,5-Trimethylbenzene:General First Aid:(General first aid procedures) |
| 安全保管 | Fireproof. Separated from strong oxidants. Well closed. Keep in a well-ventilated room. |
| 暴露管理・個人防護 | · Wear positive pressure self-contained breathing apparatus (SCBA).20.0 [ppm] |
| 消火手順 | This chemical is a flammable liquid. Poisonous gases are produced in fire. Small fires: dry chemical, carbon dioxide, water spray, or alcohol foam. Large fires: water spray, fog, or alcohol foam. Move container from fire if you can do so without risk. Spray cooling water on containers that are exposed to flames until well after fire is out. For massive fire in cargo area, use unmanned hose holder or monitoring nozzlesif this is impossible, withdraw from area and let fire burn. Withdraw immediately in case of rising sound from venting safety device or any discoloration of tank due to fire. Isolate for one-half mile in all directions if tank car or truck is involved in fire. Vapors are heavier than air and will collect in low areas. Vapors may travel long distances to ignition sources and flashback. Vapors in confined areas may explode when exposed to fire. Containers may explode in fire. Storage containers and parts of containers may rocket great distances, in many directions. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position. If employees are expected to fight fires, they must be trained and equipped in OSHA 1910.156.If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. |
| 保管条件 | Prior to working with this chemical you should be trained on its proper handling and storage. This chemical must be stored to avoid contact with oxidizers (such as perchlorates, peroxides, permanganates, chlorates, and nitrates), and strong oxidizers (such as chlorine, bromine, and fluorine) since violent reactions occur. Store in tightly closed containers in a cool, well-ventilated area away from heat. Sources of ignition such as smoking and open flames are prohibited where this chemical is used, handled, or stored in a manner that could create a potential fire or explosion hazard. Metal containers involving the transfer of 5 gallons or more of this chemical should be grounded and bonded. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use only nonsparking tools and equipment, especially when opening and closing containers of this chemical.STORAGE TANKS SHOULD BE MOUNDED TO CONFINE ESCAPING LIQUID & ESCAPE FROM PROCESS VESSELS SHOULD BE CONTROLLED IN SIMILAR MANNER BY SILLS @ DOORWAYS, DESIGN OF FLOORS, ETC. /TRIMETHYLBENZENES/ |
| 清掃方法 | Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Ventilate area of spill or leak. Absorb liquids in vermiculite, dry sand, earth, peat, carbon, or similar material and deposit in sealed containers. Keep this chemical out of a confined space ... because of the possibility of an explosion ... It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean up spills, they must be properly trained and equipped. OSHA 1910.120(q) may be applicable.Environmental considerations-land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.Environmental considerations-water spill: Use natural barriers or oil spill control booms to limit spill travel. Remove trapped material with suction hoses.Environmental considerations-air spill: Apply water spray or mist to knock down vapors. |
| 非火災時の漏出対応 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| 処分方法 | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.Incineration /SRP: with appropriate emission controls/. |
| 漏出処分 | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| 体内負荷 | 5 of 46 human adipose tissue samples contained unreported concentrations of 1,3,5-trimethylbenzene(1). Expired air from 28 humans contained 1,3,5-trimethylbenzene at an average concn of 4 ng/L(2). Expired air from 54 humans contained 1,3,5-trimethylbenzene at an average concn of 0.842 ng/L(3). Expired air from 3 of 8 male humans contained 1,3,5-trimethylbenzene at 0.034 to 0.81 ug/hrthe source was thought to be of metabolic origin(4). |
| 相互作用 | Increased catalase activity was observed in the liver microsomal fraction of ethanol-treated rats (10% v/v aqueous ethanol solution per os for 5 weeks). In contrast, cytochrome P-450 concentration and specific activity of NADPH-cytochrome c reductase remained at the same level as in the liver of control rats (drinking water). ... Administration of mesitylene (1,3,5-trimethylbenzene) by gastric tube for 3 days (5 mmoles per kg daily) increased cytochrome P-450 concentration, specific activity of NADPH-cytochrome c reductase and ethanol metabolism.Groups of 5 female SPF Sprague-Dawley rats (200 to 220 g) were exposed via inhalation for 2 hr to 120, 180, 400, or 720 ppm mesitylene, without or in combination with 1000 or 4000 ppm ethyl acetate. Immediately after exposure, blood samples were collected. Co-exposure /of the effect/ with ethyl acetate ... was not statistically significant. For example, at 400 ppm mesitylene, control blood concn was (75.8 +/- 2.1) x 10-6 mol/L vs 68.8 +/ - 7.8) x 10-6 mol/L at 4000 ppm ethyl acetate. |
| 標的器官 | DevelopmentalEyes, skin, respiratory system, central nervous system, blood |
| 生態毒性値 | EC50 Daphnia magna /(Water flea)/ 50 mg/L 24 hr, toxic effect: increased mortality and reduced reproduction ratesSpecies: Scenedesmus subspicatus (Green algae, Log growth phase)Conditions: freshwater, static, 24 °C, pH 8.0-9.3Concentration: 25000 ug/L for 48 hrEffect: decreased population biomassConcentration: 53000 ug/L for 48 hrEffect: general population changesSpecies: Daphnia magna (Water flea, age 4-6 days, length 1.5 mm)Conditions: freshwater, static, 23 °C, pH 6-7, dissolved oxygen 5-9 mg/LConcentration: 50 mmol/cu m for 48 hr (95% confidence interval: 22-110 mmol/cu m)Effect: intoxication, immobilization /> or = 97% purity/For more Ecotoxicity Values (Complete) data for 1,3,5-TRIMETHYLBENZENE (9 total), please visit the HSDB record page. |
| 環境中動態 | TERRESTRIAL FATE: Based on a classification scheme(1), an experimental Koc range of 501-1,445(2-5), indicates that 1,3,5-trimethylbenzene is expected to have low mobility in soil(SRC). Volatilization of 1,3,5-trimethylbenzene from moist soil surfaces is expected to be an important fate process(SRC) given an experimental Henry's Law constant of 8.77X10-3 atm-cu m/mole(6). 1,3,5-Trimethylbenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.48 mm Hg(SRC), from experimentally-derived coefficients(7). Complete removal of 1,3,5-trimethylbenzene from sterile sandy loam soil samples contaminated with jet fuel was reported within 5 days, probably due to evaporation(8). Biodegradation is expected to occur in soil, and acclimation may increase the rate of biodegradation(SRC). 1,3,5-Trimethylbenzene, present at a concn of 50 mg/kg, degraded considerably after 6 months in the presence of a sewage inoculum during a bioremediation study(9). It was noted that 1,3,5-trimethylbenzene was more resistant to biodegradation than other compounds present(9). The time required for 0.2-1.0 mg/L of 1,3,5-trimethylbenzene to reach less than 1 ug/L was 110 hours in an adapted groundwater aquifer contaminated with gasoline(10).AQUATIC FATE: Based on a classification scheme(1), an experimental Koc range of 501-1,445(2-5), indicates that 1,3,5-trimethylbenzene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected based upon a Henry's Law constant of 8.77X10-3 atm-cu m/mole(6). Using this Henry's Law constant and an estimation method(7), volatilization half-lives for a model river and model lake are 1.2 hours and 4.4 days, respectively(SRC). Residence times (with respect to volatilization) for 1,3,5-trimethylbenzene were calculated as 220 hours for both winter and summer conditions in Narragansett Bay(8). According to a classification scheme(9), BCF values of 23 to 342(10), measured in carp, suggest that bioconcentration in aquatic organisms may be high(SRC). Biodegradation may be an important fate process for this compound in water, and acclimation may increase the rate of biodegradation(SRC). The time required for 0.2-1.0 mg/L of 1,3,5-trimethylbenzene to reach less than 1 ug/L was 110 hours in an adapted groundwater aquifer contaminated with gasoline(11). 1,3,5-Trimethylbenzene was not detected in the effluent of an activated sludge plant that had a recorded influent of 22.7 ug/L(12). In liquid wastewater cultures, after 30 days 1,3,5-trimethylbenzene degraded to 0.39 mg/L in the test sample compared to 7.17 mg/L residual concn in the abiotic control, suggesting biodegradation is an important fate process in water(13).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,3,5-trimethylbenzene, which has a vapor pressure of 2.48 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,3,5-trimethylbenzene 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 11 hours(SRC), calculated from its rate constant of 5.75X10-11 cu cm/molecule-sec at 25 °C(1). 1,3,5-Trimethylbenzene also reacts with nitrate radicals in the atmosphere(3)the half-life for this reaction in air is estimated as 10-67 days(SRC). The photooxidation of 1,3,5-trimethylbenzene with nitrogen oxide produces formaldehyde and aliphatic aldehydes at 0.15-0.2 and 0.3-0.4 moles/mole 1,3,5-trimethylbenzene, respectively(5). 1,3,5-Trimethylbenzene does not contain chromophores that absorb wavelengths >290 nm(6) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| 食品調査値 | An aroma concentrate of cured beef contained 1,3,5-trimethylbenzene at 0.11 mg/kg(1). 1,3,5-Trimethylbenzene was reported as a component of fried beef liver (4.34-5.57 ppb)(2), margarine (13.1 ppb)(2), butter (7.81 ppb)(2), cake doughnuts (27.6 ppb)(2), sandwich cookies (7.25 ppb)(2), in scrambled eggs from both fresh and supermarket eggs (trace levels)(3), and chickpea seed(4). 1,3,5-Trimethylbenzene is a volatile component of chicken, beef, and pork flavors(5). |
| 有害作用 | Neurotoxin - Acute solvent syndrome |
| 暴露経路 | The substance can be absorbed into the body by inhalation.inhalation, ingestion, skin and/or eye contact |
| Average Daily Intake | The average daily dose of 1,3,5-trimethylbenzene from breathing air in The Netherlands was estimated as 20.5 ug/day based on mean ambient air concentrations of 0.10-0.30 ppb(1). |
| Signs and Symptoms | Confusion. Cough. Dizziness. Drowsiness. Headache. Sore throat. Vomiting.Redness. Dry skin.Redness. Pain.See Inhalation.irritation eyes, skin, nose, throat, respiratory systembronchitishypochromic anemiaheadache, drowsiness, lassitude (weakness, exhaustion), dizziness, nausea, incoordinationvomiting, confusionchemical pneumonitis (aspiration liquid) |
| Effluent Concentrations | Diluted (30:1 with purified air) automobile exhaust contained 2.3 ppm 1,3,5-trimethylbenzene(1). Automobile exhaust from an English car without a catalytic converter contained 1,3,5-trimethylbenzene at 1242 ppb(2). Highway tunnel exhaust air in Hamburg, Germany (Elbtunnel) contained 1,3,5-trimethylbenzene at concns from 14.2 to 18.2 ug/cu m(3). Gasoline engine exhaust from a light-duty vehicle both with and without a catalytic converter contained 1,3,5-trimethylbenzene at 1.3 and 0.6 wt% of total organic gas emissions, respectively(4). Unburned gasoline in the summertime contained 1.2 wt% 1,3,5-trimethylbenzene(4). 1,3,5-Trimethylbenzene was introduced into water at 10 mg/10 minutes by a four-stroke outboard motor(5). The concn of 1,3,5-trimethylbenzene in the water of a canal to a harbor of Lake Constance, Germany, varied throughout the day with 7, 23, 159, 72, 233, 233, 233, and 267 ng/L reported for times 8:30, 9:37, 10:37, 11:40, 12:42, 15:20, 16:20, and 17:30, respectively(6). Emissions from a municipal waste incineration plant contained 1,3,5-trimethylbenzene at 0.34 ug/cu m(7). 1,3,5-Trimethylbenzene was reported as one of the 99 most frequently detected compounds at Superfund sites(8).1,3,5-Trimethylbenzene was detected in leachate samples from 6 of 6 hazardous waste landfills at concns from 10 to 1380 ug/L and in 4 of 5 leachate samples from domestic landfills at concns of 2.6 to 4.8 ug/L(1). Influent to the Jones Island publicly-owned treatment plant contained 1,3,5-trimethylbenzene at 7 to 14 ppbeffluent contained less than 1 ppb(2). Effluent samples from an in situ coal gasification experiment in Hanna, WY contained 1,3,5-trimethylbenzene from not detected (detection limit=0.1 ppb) to 139 ppb(3). Dissolved air flotation treatment effluent from a class B petroleum refinery contained 1,3,5-trimethylbenzene at43 ng/g(4). Three of six mixed household waste samples contained 1,3,5-trimethylbenzene at unreported concns(5). 1,3,5-Trimethylbenzene was tentatively identified in leachate from the North Bay, Ontario landfill(6). Emissions from coal-fired power stations in France contained 1,3,5-trimethylbenzene at 0.7 to 7.1 ug/Normalized cu m(7). 1,3,5-Trimethylbenzene was detected in leachate samples from 6 of 6 hazardous waste landfills at concns from 10 to 1380 ug/L and in 5 of 5 leachate samples from domestic landfills at concns of 2.6 to 4.8 ug/L(8).Off-gas from two Ontario municipal wastewater treatment plants, Skyway in Burlington and Highland Creek in Metropolitan Toronto, Canada contained 1,3,5-trimethylbenzene at maximum concns of 271 and 1090 ug/cu m, respectivelyemission rates of 32 and 138 g/d were estimated(1). Effluent samples collected from advanced waste treatment plants in Lake Tahoe, CA (in (1974), Pomona, CA (in 1974/1975) and Blue Plains facility, Washington DC (in 1974) contained 1,3,5-trimethylbenzene at unreported concns(2). Emissions from municipal solid waste composting facilities contained 1,3,5-trimethylbenzene at concns of 320, 130, 46, and 7 ug/cu m for fresh, mid-aged, old, and curing compost, respectively(3). Wastewater from the following industries contained unreported concns of 1,3,5-trimethylbenzene: petroleum refining, paint andink, ore mining, inorganic chemicals, textile mills, auto and other laundries, plastics manufacturing, electronics, and publicly-owned treatment works(4).Raw effluent from a plant that primarily finished polyester fabrics contained 1,3,5-trimethylbenzene at unreported concns(1). Two different turbojet engines, operated at simulated supersonic flight conditions, emitted 0.35 to 2.02 ppmC 1,3,5-trimethylbenzene(2). Emissions from 46 in-use passenger cars contained 1,3,5-trimethylbenzene at an average concn of 2.1, 1.5, 2.6, and 1.8 weight percent of total hydrocarbons for the FTP test (19.56 mph average speed), the hot soak test, the NYC test (7.07 mph average speed), and the CUE test (34.79 mph average speed), respectively(3). Waste materials from pharmaceutical production are discharged into the ocean north of Arecibo, Puerto Ricosamples from the waste plume obtained in October 1979 contained 1,3,5-trimethylbenzene at 3 mg/L(4). 1,3,5-Trimethylbenzene was detected in the emissions of a shale oil wastewater(5). |
| ICSC Environmental Data | The substance is harmful to aquatic organisms. Bioaccumulation of this chemical may occur in fish. |
| 州飲料水ガイドライン | (CA) CALIFORNIA 330 ug/l(CT) CONNECTICUT 36 ug/l(FL) FLORIDA 35 ug/l(MN) MINNESOTA 100 ug/L(NH) NEW HAMPSHIRE 330 ug/L |
| F | 10 |
| 職業暴露区分（OEB） | A |
| 職業暴露限界（OEL） | TWA: 25 ppm (125 mg/m3) |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | OX6825000 |
| 輸送番号（UN） | UN 2325 |
| 毒性 | LD50 (inhalation) for rats 24 g/m3/4-h (quoted, RTECS, 1985). |
| PRTR法 | 第一種指定化学物質 |
| 税関コード | 29029080 |
| 危険文句（R） | 10-37-51/53-39/23/24/25-23/24/25-11-37/38 |
| 化審法 | (3)-7, (3)-3427 優先評価化学物質 |
| 安衛法 | 57,57-2 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xi,N,F,T |
| hazard_note | Irritant/Flammable |
| 安全措置（S） | 61-45-36/37-16-7 |
| 危険等級 | 3Aquatic Chronic 2Asp. Tox. 1Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 自然発火温度 | 1022 °F |
| 環境リスク評価 | 1,3,5-トリメチルベンゼン(108-67-8) |
| 貯蔵分類 | 3 - Flammable liquids |
| 有害物質データ | 108-67-8(Hazardous Substances Data) |
用途
解説
メシチレン，液体．融点－44.8 ℃，沸点165 ℃．d204 0.8611．n25D 1.4968．アルコール類やエーテルとまざる．溶剤として，あるいは染料，顔料，医薬品などの合成原料として用いられる．森北出版「化学辞典（第2版）
用途
染料、顔料、薬、抗酸化剤中間体
使用
Mesitylene is used to make plastics and dyes. It acts as a solvent, ligand in organometallic chemistry and precursor to 2,4,6-trimethylaniline. It is also used as a developer for photopatternable silicones due to its solvent properties in the electronics industry. It is used as an internal standard in nuclear magnetic resonance (NMR) samples due to the presence of three equivalent protons in it. It is involved in the production of trimesic acid and antioxygen, epoxy firming agent and polyester resin stabilizers. Further, it is used as an additive and component in aviation gasoline blends.
一般的な説明
A colorless liquid with a peculiar odor. Insoluble in water and less dense than water. Flash point near 123°F. May be toxic by ingestion and inhalation. Used to make plastics and dyes.
使用用途
メシチレンとしては、その有機化合物への溶解性の高さから、有機合成における高沸点溶媒として広く用いられています。また、その溶解度の高さを活かしエレクトロニクスの分野では、半導体ウェハーの写像形成におけるとして用いられています。 さらに、染料、顔料、医薬品などの合成原料として用いられています。
製法・合成法
純化方法
Dry it with CaCl2 and distil it from Na in a glass helices-packed column. Treat it with silica gel and redistil it. Alternative purifications include vapour-phase chromatography, or fractional distillation followed by azeotropic distillation with 2-methoxyethanol (which is subsequently washed out with H2O), drying and fractional distilling. More exhaustive purification uses sulfonation by dissolving in two volumes of conc H2SO4, precipitating with four volumes of conc HCl at 0o, washing with conc HCl and recrystallising from CHCl3. The mesitylene sulfonic acid is hydrolysed with boiling 20% HCl and steam distilled. The separated mesitylene is dried (MgSO4 or CaSO4) and distilled. It can also be fractionally crystallised from the melt at low temperatures. [Beilstein 5 IV 1016.]