Product
Supplier
Encyclopedia
Inquiry
Home > Encyclopedia > 3,4-Dimethylphenol

3,4-Dimethylphenol

3,4-Dimethylphenol structure

3,4-Dimethylphenol 

structure
  • CAS No:

    95-65-8

  • Formula:

    C8H10O

  • Chemical Name:

    3,4-Dimethylphenol

  • Synonyms:

    Phenol,3,4-dimethyl-;3,4-Xylenol;3,4-Dimethylphenol;4,5-Dimethylphenol;4-Hydroxy-1,2-dimethylbenzene;1,3,4-Xylenol;1-Hydroxy-3,4-dimethylbenzene;NSC 1549;3,4-DMP

  • Categories:

    Organic Chemistry  >  Alcohols, Phenols, Phenol Alcohols

Description

YELLOW TO BROWNISH CRYSTALLINE MASS


3,4-dimethylphenol appears as colorless to light tan crystalline powder or solid. Odor threshold 1.2 mg/L. Taste threshold 0.05 mg/L. (NTP, 1992)|Liquid|Solid|Colourless crystalline solid


3,4-dimethylphenol appears as colorless to light tan crystalline powder or solid. Odor threshold 1.2 mg/L. Taste threshold 0.05 mg/L. (NTP, 1992)|3,4-xylenol is a member of the class of phenols that is phenol substituted by methyl groups at positions 3 and 4. It derives from a hydride of an o-xylene.

3,4-Dimethylphenol Basic Attributes

122.16

122.16

1099267

202-439-5

4L479F5JU6

1549

2261

DTXSID4024062

Needles from water|Prisms from ligroin

29071400

Characteristics

20.2

2.23

Off-white to pale cream Crystalline Powder

0.983 g/cm3 @ Temp: 20 °C

62.5 °C

225 °C

61 °C

1.540

H2O: SLIGHTLY soluble

2-8°C

0.0356 mm Hg @ 25 deg C

Oral-rat LD50: 727 mg/kg; Oral-Mouse LD50: 400 mg/kg

Combustible in case of open flames and high heat; burning produces irritating smoke

1.4%(V)

0.05 mg/l (taste threshold concn)

8.14e-11 cm3/molecule*sec

4.15e-07 atm-m3/mole

pKa= 10.36 at 25 °C

Heat of fusion: 18.13 kJ/mole @ 60.8 °C|Dipole moment: 1.77 debye (benzene, 20 °C)|Dielectric constant: 4.8 at 17 °C|Hydroxyl radical rate constant = 8.14X10-11 cu-cm/molc sec @ 25 °C

Hygroscopic. Insoluble in water.

Phenols and Cresols

3,4-DIMETHYLPHENOL is incompatible with bases, acid chlorides, acid anhydrides, and oxidizing agents. It corrodes steel, brass, copper, and copper alloys. (NTP, 1992)

13,991.0 g cal/g mole

Safety Information

II

6.1

UN 2261 6.1/PG 2

3

24/25-34-51/53

26-36/37/39-45-61

ZE6300000

T,N

The warehouse is ventilated, low-temperature and dry; stored separately from oxidants.

Corrosive to skin and cornea

Stable under normal temperatures and pressures.

P273-P280-P301 + P310-P305 + P351 + P338-P310

H301-H311-H314-H411

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.|The effectiveness of anaerobic filters containing granular activated carbon in treating synthetically prepared wastewaters which contained phenols, polycyclic hydroxy compounds, monocyclic n-aromatics, polycyclic n-aromatics, and aliphatic acids was evaluated. The ability of the activated carbon to retain these compounds along with its external surface, which provides vast sheltered microbial attachment areas, renders activated carbon a very unique medium for anaerobic filter treatment of coal gasification wastewater.|Chemical Treatability of 3,4-Dimethylphenol; Concentration Process: Biological treatment; Chemical Classification: Phenols; Scale of Study: Unknown; Type of Wastewater Used: Pure compound (one solute in a solvent; Results of Study: 95.5% reduction based on chemical oxygen demand; rate of biodegradation 13.4 mg chemical oxygen demand/g hr (activated sludge process).

Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)

|Danger|H301 (99.69%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P361, P363, P391, P405, and P501|Aggregated GHS information provided by 1623 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P391, P405, and P501|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: 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. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

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. STORAGE PRECAUTIONS: You should store this chemical under ambient temperatures, and protect it from moisture and oxidizing materials. (NTP, 1992)

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. RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)|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/|Wear appropriate chemical protective gloves, boots and goggles.

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXIC; inhalation, 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. /Xylenols; Xylenols, liquid; Xylenols, 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; Xylenols, liquid; Xylenols, solid/|/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; Xylenols, liquid; Xylenols, solid/|/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 ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Xylenols; Xylenols, liquid; Xylenols, solid/|For more DOT Emergency Guidelines (Complete) data for 3,4-DIMETHYLPHENOL (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

3,4-Dimethylphenol was measured in raw waste water from a paper mill at 0.0457 mg/l in 1974, and had been observed at this site in 1972. It was not detected in the treated effluent from the plant(1). 3,4-Dimethylphenol was identified in Los Angeles County, CA effluent (1980-81) at 20 ug/l(2). Waste water from the gasification of Indian Head lignite coal in North Dakota was determined to have an approximate 3,4-dimethylphenol concn of 158 mg/l(3). 3,4-Dimethylphenol was detected in treated refinery effluent (Geelong, Victoria, Australia, 1985) at a concn of 0.02 mg/l(4). 3,4-Dimethylphenol was identified but not quantified in leachate collected from a Swedish municipal landfill in May 1990(5). 3,4-Dimethylphenol was also identified in the leachate from a sanitary landfill in Barcelona, Spain(6).

3,4-Dimethylphenol was qualitatively detected in soil samples at site of a former pine-tar manufacturer in Gainesville, FL(1).

URBAN/SUBURBAN: In 1984, a gas phase concn of 3,4-dimethylphenol was detected in two of seven rain events in Portland, OR, at 5.4 and 3.5 ng/cu m respectively. 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).

3,4-Dimethylphenol was identified as a component of cigarette smoke(1-3), with an average concn of 13 ug/cigarette(3).

Toxicity

moderately toxic

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 3,4-XYLENOL.

LD50 Mouse oral 400 mg/kg|LD50 Rabbit oral 800 mg/kg

Dimethylphenols, of which 3,4-dimethylphenol is an isomer, are present in the essential oils of various conifers(1), in tea(4,5), in tobacco and tobacco smoke(1-3,5), in roasted coffee and in various smoked foods(5).

/SRP/: 3,4-DIMETHYLPHENOL IS A CONSTITUENT OF ... AUTOMOBILE EXHAUST, AND SHALE OIL WASTE WATERS.|/SRP/: DIMETHYLPHENOLS OCCUR IN SHALE OIL PROCESS WATER, INDUSTRIAL WASTE WATER, AIRBORNE PARTICULATES, ... AND EVOLUTES FROM WASTE CHEMICAL DUMPS. /DIMETHYLPHENOLS/|The nature and extent of pollution was determined at the site of a former pine-tar manufacturer in Gainsville, Florida. In 1979 EPA conducted an investigation of this area. Compound distribution at various areas about the site revealed that, in addition to groundwater leaching of soluble phenolics, insoluble contaminants were spread by a dike-breach incident and subsequent construction activities. Differences in the patterns of chemicals in various wells suggested that more than 1 source of pollution occurred. The distribution of compounds about the site indicated that a general clean-up would not be cost-effective. Placement of an intereceptor to collect groundwater seepage that contaminated surface water was considered as an alternative. One of the 43 compounds identified in soil extracts was 3,4-dimethylphenol.|3,4-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 (0.5 wt%)(2), as the starting material for the insecticide meobal(3), as a component of automobile and diesel exhaust(4-7) and as a product of the combustion of vegetable materials (chestnut extract, tannic acid, fruits and vegetables)(8) may result in its release to the environment through various waste streams(SRC). Dimethylphenols, of which 3,4-dimethylphenol is an isomer, are components of disinfectants, solvents, pharmaceuticals, insecticides, fungicides, plasticizers, rubber chemicals, additives to lubricants and gasolines, wetting agents and dyestuffs(9).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 390(SRC), determined from a log Kow of 2.23(2) and a regression-derived equation(3), indicates that 3,4-dimethylphenol is expected to have moderate mobility in soil(SRC). Volatilization of 3,4-dimethylphenol from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.2X10-6 atm-cu m/mole(SRC), determined from its vapor pressure of 0.036 mm Hg(4) and water solubility of 4760 mg/l(5). 3,4-Dimethylphenol is not expected to volatilize from dry soil surfaces based upon a its vapor pressure(3). 3,4-Dimethylphenol has been reported to completely biodegrade in soil in 9 days at a temperature of 19 °C(6).|AQUATIC FATE: Based on a classification scheme(1), a Koc value of 390(SRC), determined from a log Kow of 2.23(2) and a regression-derived equation(3), indicates that 3,4-dimethylphenol is expected to adsorb very little to suspended solids and sediment in water(SRC). 3,4-Dimethylphenol is expected to volatilize from water surfaces(3,SRC) based upon an estimated Henry's Law constant of 1.2X10-6 atm-cu m/mole(SRC), determined from its vapor pressure of 0.036 mm Hg(4) and water solubility of 4760 mg/l(5). Estimated volatilization half-lives for a model river and model lake are 34 days and 250 days, respectively(3,SRC). According to a classification scheme(6), an estimated BCF of 29(3,SRC), from 3,4-dimethylphenol's log Kow(2), suggests bioconcentration in aquatic organisms is low(SRC). In humic waters, degradation by the reaction with peroxy radicals should ensue with a half-life on the order of hours(7). 3,4-Dimethylphenol is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3). Screening studies indicate that theoretical oxygen demand reached 43% after 5 days(8,9). In addition, it has been reported that 3,4-dimethylphenol was readily degraded in St. Lawrence River water(10). Biodegradation under anaerobic conditions failed to occur after 24 days from a river sediment inoculum(11).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3,4-dimethylphenol, which has a vapor pressure of 0.036 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3,4-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 4.7 hours(SRC) from its rate constant of 8.14X10-11 cu cm/molecule-sec at 25 °C(3). Atmospheric 3,4-dimethylphenol is known to be removed by rainwater(4). 3,4-Dimethylphenol has an absorption band at 274 nm (water), 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).

The rate constant for the vapor-phase reaction of 3,4-dimethylphenol with photochemically-produced hydroxyl radicals has been determined to be 8.14X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 4.7 hours at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1). 3,4-Dimethylphenol has an absorption band at 274 nm (water), and a shoulder may extend over 290 nm, thus making it a candidate for direct photochemical degradation(2,3). 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(4,SRC). Peroxy radicals found in humic waters react with phenols; the half-lives can be measured in hours(5). 3,4-Dimethylphenol is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3).

An estimated BCF of 29 was calculated for 3,4-dimethylphenol(SRC), using a log Kow of 2.23(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low.

The Koc of 3,4-dimethylphenol is estimated as 390(SRC), using a log Kow of 2.23(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3,4-dimethylphenol is expected to have moderate mobility in soil(SRC). 65.2% of 3,4-dimethylphenol was sorbed onto the high clay content, adsorption activated material Bentone 24 at pH= 7.8; 13% with Bentone 18C at pH 7.7; these values fluctuate as a function of pH(4).

The Henry's Law constant for 3,4-dimethylphenol is estimated as 1.2X10-6 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.036 mm Hg(1), and water solubility, 4760 mg/l(2). This Henry's Law constant indicates that 3,4-dimethylphenol is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 34 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as approximately 250 days(SRC). 3,4-Dimethylphenol's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces is expected to occur(SRC). 3,4-Dimethylphenol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.036 mm Hg(1).

GROUNDWATER: 3,4-Dimethylphenol was identified in a groundwater sample collected in 1984 from a well approximately 300 m from a landfill in Florida, concn not specified(1). The concn of 3,4-dimethylphenol in groundwater collected from a coal tar distillation/wood-treatment plant at St. Louis Park, MN in 1978 and from a wood-preserving plant at Pensacola, FL in 1985 was determined to be 1.05 mg/l and 0.95-3.23 mg/l, respectively(2). Groundwater samples collected from three creosote-contaminated sites in Denmark, date unspecified, were found to contain 3,4-dimethylphenol ranging in concn from below detection to 100 ug/l(3). 3,4-Dimethylphenol was detected at a concn of 0.4 mg/l in groundwater near an abandoned wood preservative manufacturing plant in Florida(4). Water samples collected during December 1986 from Gas Works Park, Seattle, WA were found to contain 3,4-dimethylphenol ranging in concn from below detection to 0.50 mg/l(5).|GROUNDWATER: 3,4-Dimethylphenol was found in concns ranging from 1-130 ug/l in 4 out of 4 up-gradient wells, and 1,800-9,400 ug/l in 6 out of 7 down-gradient wells near a former pine-tar manufacturing facility in Gainesville, FL, analyzed as a mixture with 2,5-dimethylphenol(1). Studies near a closed wood preserving facility in Pensacola, FL detected 3,4-dimethylphenol in groundwater ranging from 2.20 mg/l at 6 m depth and 0.85 mg/l at 18 m depth approximately 170 m from the plant site; at approximately 330 m from the site, 0.16 mg/l 3,4-dimethylphenol was detected at a depth of 6 m but was not detected at a depth of 12 m(2). 3,4-Dimethylphenol was detected in concns ranging from 7.1 to 780 ppm in groundwater samples from two aquifers near underground coal gasification sites in northeastern Wyoming(3).|DRINKING WATER: 3,4-Dimethylphenol was found qualitatively in finished drinking water in Cincinnati, OH, Jan 1980(1).|SURFACE WATER: 3,4-Dimethylphenol was qualitatively identified in samples from the Saint Lawrence River(1).|RAIN/SNOW: In 1984, 3,4-dimethylphenol was detected in seven rain events in Portland, OR, with concns ranging from 54-190 ng/l range and averaging 130 ng/l(1).

3,4-Dimethylphenol was identified as a volatile flavor component of the Japanese dried food, Bonito(1).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 7,786 workers are potentially exposed to dimethylphenol in the US, isomer not specified(1). Occupational exposure to 3,4-dimethylphenol may occur through inhalation of this compound at workplaces where 3,4-dimethylphenol is produced or used(SRC). The general population may be exposed to 3,4-dimethylphenol via inhalation of ambient air (i.e., tobacco smoke(2) and automobile exhaust(3)), ingestion of food(4) and drinking water(5), and contact with other products containing 3,4-dimethylphenol(6).

Urine samples of 35 varnishing workers in six different workplaces contained 3,4-dimethylphenol (0.8 mg/l). The source of this dimethylphenol is probably due to the metabolism of original aromatic components of the varnish(1).

Drug Information

Associations between o-cresol, p-cresol, m-cresol, 2,4-xylenol, 2,5-xylenol, 3,4-xylenol, and 3,5-xylenol exposure levels and urinary phenol excretion were examined in the coke facility industry. The subjects consisted of 76 exposed workers employed in the tar distillation process and 34 controls. ... Urinary metabolite levels were corrected for specific gravity and creatinine. The time weighted average exposure concentrations in the breathing zones of the tar distillation workers were ... 0.02 to 0.04 mg/cu m for xylenols. ... The urinary xylenol levels of exposed workers ranged from 0.12 to 0.97 mg/l with specific gravity correction. In control urine samples, the specific gravity corrected xylenol concentrations ranged from 25 x 10(-3) to 43 x 10(-3) mg/l. Significant correlations were observed between the ambient levels and urinary concentrations of phenol, o-cresol, and the xylenols, with coefficients ranging from 0.45 to 0.82. The author concludes that the biological monitoring of urinary xylenols may be used as a means of measuring xylenol exposure in coke facility workers.

HYDROXYLATION OF AROMATIC HYDROCARBONS WAS STUDIED FOLLOWING THEIR ORAL ADMINISTRATION TO RATS THAT ALSO RECEIVED A PURIFIED DIET CONTAINING NEOMYCIN TO REDUCE THE LEVELS OF NORMALLY OCCURRING SIMPLE URINARY PHENOLS. PHENOLIC METABOLITES WERE QUANTITATIVELY ESTIMATED IN HYDROLYZED URINE SAMPLES BY GAS CHROMATOGRAPHY. AFTER THE ADMIN OF 100 MG/KG OF O-XYLENE IN RATS, 0.1% WAS METABOLIZED TO 3,4-DIMETHYLPHENOL.|YIELDS 4,5-DIMETHYLCATECHOL IN RABBITS. YIELDS 3,4-DIMETHYLPHENYL-BETA-D-GLUCURONIDE IN RABBITS. /FROM TABLE/|YIELDS 3,4-DIMETHYLPHENYL SULFATE IN RABBITS & IN RATS. /FROM TABLE/|FOUR PERSONS WERE EXPOSED TO XYLENES. 2,3- AND 3,4-XYLENOL WERE OBSERVED IN URINE OF THOSE EXPOSED TO O-XYLENE. 2,4-XYLENOL OBSERVED AFTER M-XYLENE AND 2,5-XYLENOL AFTER P-XYLENE.|2,3-Dimethylphenol is a known human metabolite of o-xylene.

SYMPTOMS: Symptoms of exposure to this compound may include burning sensation, coughing, wheezing, laryngitis, and shortness of breath. Other symptoms may include severe irritation or burning of the eyes and skin; irritation of the respiratory system; dizziness, stomach pain, exhaustion, and coma. It can cause headaches, nausea, and vomiting. It can also cause corrosion of the mucous membranes, upper respiratory tract, skin, and eyes. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi; chemical pneumonitis; and pulmonary edema. Chronic exposure may cause liver or kidney damage. ACUTE/CHRONIC HAZARDS: This chemical is highly toxic by inhalation, ingestion or skin absorption. It is corrosive and extremely destructive to tissue of the mucous membranes, upper respiratory tract, eyes and skin. When heated to decomposition it emits acrid smoke and toxic fumes of carbon monoxide and carbon dioxide. (NTP, 1992)

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. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. Phenols are very toxic poisons AND corrosive and irritating, so that inducing vomiting may make medical problems worse. IMMEDIATELY call a hospital or poison control center and locate activated charcoal, egg whites, or milk in case the medical advisor recommends administering one of them. If advice from a physician is not readily available and the victim is conscious and not convulsing, give the victim a glass of activated charcoal slurry in water or, if this is not available, a glass of milk, or beaten egg whites and IMMEDIATELY transport victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, assure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Administer activated charcoal ... . Dilution may be contraindicated because it may increase absorption. Do not use emetics ... . Cover skin burns with dry sterile dressings after decontamination ... . /Phenols and Related compounds/|Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W TKO /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors for hypotension with a normal fluid volume. Watch for signs of fluid overload ... . Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Phenols and Related Compounds/

TOXIC BY INGESTION AND SKIN ABSORPTION. /COMMERCIAL MIXTURES/

3,4-dimethylphenol

3,4-Dimethylphenol Use and Manufacturing

Methods of Manufacturing

The crude phenol obtained from the washing oil fraction of coal tar through sodium hydroxide saponification and sulfuric acid acidification contains phenol, cresol and xylenol. From crude phenol separation, mixed xylenol can be obtained, 3, 5-xylenol is removed by rectification, the remainder is rectified, 225-229℃ distillate is collected, cooled and crystallized, and centrifuged to obtain 3, 4-xylenol . In addition, using o-xylene as raw material, the product can also be obtained through sulfonation, alkali fusion, acid precipitation, and distillation.

Uses

Used to make modified polyimide, insecticide, dye, etc.


Intermediates


Cleaning and furnishing care products

Production

1,000,000 - 10,000,000 lb

All other basic organic chemical manufacturing|Phenol, 3,4-dimethyl-: ACTIVE

FROM ENVIRONMENTAL SAMPLES, 3,4-DIMETHYLPHENOL WAS CONVERTED INTO 3,4-DIBROMOPHENOL & MINIMUM DETECTABLE AMT OF APPROX 0.01 NG WAS MADE WITH ELECTRON CAPTURE DETECTOR.|THE ANALYTICAL CONDITIONS UNDER WHICH XYLENOLS ARE DETERMINED ALONG WITH OTHER PHENOLS FOR THE CHARACTERIZATION OF PETROLEUM WASTE DISCHARGES USING DINONYL PHTHALATE COLUMNS ARE DISCUSSED. /XYLENOLS/|ISOLATION OF THE REFERENCE PHENOLS (INCLUDING 3,4-DIMETHYLPHENOL) FROM INTERFERING COMPOUNDS GAVE RELATIVE RECOVERY OF 90-100%. SEPARATION OF PHENOLS INTO INDIVIDUAL COMPONENTS WAS PERFORMED ON POLAR PACKINGS AS WELL AS ON REVERSE PHASE PACKINGS. QUANTITATIVE ANALYSIS WAS CARRIED OUT ON A PREPACKED ZORBAX ODS COLUMN USING A UV PHOTOMETER OF 254 NM WAVELENGTH. THE CONCENTRATIONS OF THE PHENOLS DETERMINED BY HPLC WERE 1-10 PPM OR 0.03-0.18 MG/CU M OF AUTO EXHAUST.|THE PHENOLIC FRACTION OF A SRC-II MIDDLE DISTILLATE WAS ISOLATED AND THE INDIVIDUAL PHENOLIC CONSTITUENTS (INCLUDING 2,3-DIMETHYLPHENOL) FURTHER SEPARATED AND IDENTIFIED BY GAS CHROMATOGRAPHY AND MASS FRAGMENTOGRAPHY. THIS MIXTURE OF PHENOLS WAS SEPARATED WITH A HIGH RESOLUTION FUSED-SILICA CAPILLARY COLUMN WALL COATED WITH SUPEROX-20 M.|For more Analytic Laboratory Methods (Complete) data for 3,4-DIMETHYLPHENOL (8 total), please visit the HSDB record page.

A sensitive and reliable procedure is described for the detection of 10 most important phenolic metabolites of benzene, toluene, xylenes and ethylbenzene. The urine was acidified with sulfuricacid and steam distilled. The distillate was extracted with dichloromethane. The solvent volume was reduced approx 10 fold. The gas-chromatography detection was performed on a fused silica capillary (SE 54; 30 m) with FID. 3-Ethylphenol was used as internal standard. For phenol; o-cresol and p-cresol; dl-1- and 2-phenylethanol; 3-methylbenzyl alcohol 2-ethylphenol; 2,4-, 2,3-, 3,4-dimethylphenol within series relative standard derivation was 2.3-16.8%. The recovery rates were 89-109%. The detection limit was 0.3 mg/l. ...|A proposed method for simultaneously determining phenol, cresols, xylenol isomers, and naphthols in urine samples utilizing solid phase excretion and capillary gas chromatography was developed.|/Gas chromatographic determination of urinary phenol conjugates after acid hydrolysis/extractive acetylation./ A simple gas chromatographic procedure for determining phenols in urine was developed. ... Using 10 mg/l spikes of phenol, 2-methylphenol, 3-methylphenol, 4-methylphenol, 2,6-dimethylphenol, 2,5-dimethylphenol, 2,4-dimethylphenol, 3,5-dimethylphenol, 2,3-dimethylphenol, and 3,4-dimethylphenol yielded recoveries of 94.6 to 98.2%. ...

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents

Computed Properties

Molecular Weight:122.16
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:122.073164938
Monoisotopic Mass:122.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:90.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3,4-Dimethylphenol

  • China CN

    3 YRS

    Business licensed
    Trader Supplier of Acrylonitrile,Sodium biselenite methylamine solution,Methylamine [anhydrous],Zinc dust,Hydrogen peroxide solution [content >8%],Triisopropyl borate,Fuming sulfuric acid,Lithium borohydride,Triethyl borate,Ethyl propionate,Propionic anhydride,Propylarsinic acid,Aniline,4-Aminobiphenyl,4-Aminophenol,2-Aminopropane,Propane,0,0-Dimethyl-S-(2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl) dithiophosphate,Natural resin paint,Epoxy resin paint,Amino resin paint,Rubber paint,Organic silicon resin,Cyclopentene,n-Butylcyclopentane,N-n-Butylaniline,3-Ethoxyaniline,Ethyl acetate,Acetic acid solution [10%< content <80%],Sodium ethoxide ethanol solution,Ethylamine aqueous solution [concentration 50%~70%],Sodium oxide,Ethyl nitrite,Sodium nitrite,Bromocyclopentane,1-Bromopropane,Bromoacetone,2-Bromoaniline,2-Nitrobromobenzene,3-Nitrobenzyl chloride,4-Nitro-2-methylaniline,4-Nitro-1,3-dimethylbenzene,Valeryl chloride,Glutaronitrile,Lead tetraoxide,Silicon tetrachloride,1,1,3,3-Tetrachloroacetone,Tetrapropylene,2-tert-Butylphenol,Tetradecanoyl chloride,Trichloroacetic acid,Trichlorotoluene,Aluminum trichloride [anhydrous],Phosphorus trichloride,Trimethylcyclohexylamine,1,2,3-Trimethylbenzene,Trimethylchlorosilane,Solvent benzene,Sodium hydroxide,Potassium hydroxide solution [content >30%],Hydrobromic acid,Methyl chloroacetate,Butyl chloroacetate,3-Chloronitrobenzene,4-Chlorotoluene,1-Chloropropane,2-Chloropropionic acid,4-Chloroaniline,2-Chloroaniline,2-Chloro-4-nitroaniline,4-Chloro-2-nitrophenol,2,2',4,4',5,5'-Hexabromodiphenyl ether,Hexamethyldisiloxane,Diethyl sulfate,Thioacetic acid,Aluminum phosphide,o-Toluenesulfonyl chloride,Phthalimide,Potassium antimony tartrate,2-Methoxyaniline,Formic acid,1-Methylpentanol,Methyltriethoxysilane,2-Methylaniline,2-Methyl-1-propanol,Toluene diisocyanate,Cyclooctene,Cyclopentane,Cyclohexanone,Cyclohexylamine,Cyclopropane,2-Furanmethanol,N,N-Diethyl-p-toluidine,N,N-Diethyl-1,3-propanediamine,Sodium 2,4-dinitro-5-methylphenolate,3,5-Dinitroaniline,2,6-Dinitroaniline,3,6-Dihydroxyphthalonitrile,3,3'-Dichlorobenzidine,2,4-Dichloroaniline,1,3-Dichlorobenzene,2,2-Dimethylpropionate,3,4-Dimethylaniline,2,5-Dimethylaniline,3,3'-Dimethyl-4,4'-diaminobiphenyl,3,4-Dimethylphenol,1,4-Dimethylbenzene,N,N-Dibutylaniline,Bromoacetic acid,Bromacetyl bromide,Isooctane,Isooctene,Natural gas [rich in methane] (only for chemical raw material use,not for fuel use),Tributyltin acetate,Diphenylphosphine dichloride,Sodium chloroacetate,Dicyclohexylamine,Valeric acid,n-Propyl mercaptan,1,3-Dichloropropane,Dichloromethane,tert-Butyl chloride,Cyclopentyl chloride,Phosphorous acid,Cyclopentanone,Trichloroacetaldehyde [stabilized],Stannous octoate,Calcium resin,Cyclohexane,n-Octane,1,2-Dichloroethane,Thionyl chloride,tert-Butyl hydroperoxide [79%< content <90%,water content >10%],Isopropenyl acetate,Sodium dithionite,Sodium dithionate,Propionyl chloride,Benzene,Hydrobromic acid,Triethylamine,Cyclopentyl chloride,Iodine trichloride,Triethyl borate,Trimethyl borate,Toluene-2,4-diisocyanate,Hydrochloric acid,Chloroform,Benzyl cyanide,Acetone,Sulfuric acid,Toluene
    Unit Price: $90.9 /MT FOB
    CAS No.: 95-65-8
    Grade: Pharmaceutical Grade
    Content: 99.5%
    Inquiry
  • China CN

    5 YRS

    Business licensed
    Trader Supplier of PVC resin,pvc paste resin,melamine
    CAS No.: 95-65-8
    Grade: Industrial Grade
    Content: 99%
    Inquiry
  • China CN

    4 YRS

    Business licensed Certified factory
    Manufactory Supplier of Flavors & Fragrances,Catalyst & Auxiliary,Intermediates,Dyes & Pigments,Inorganic Chemistry,petro chemicals,Surfactant,Food Additives,Water Treatment Chemicals
    CAS No.: 95-65-8
    Grade: Industrial Grade
    Content: 99%
    Inquiry
  • China CN

    1 YR

    Business licensed
    Trader Supplier of Cresol,Xylenol,Antioxidants,phenol derivatives,ethyl phenol
    CAS No.: 95-65-8
    Inquiry

Scan the QR Code to Share

Feedback & Suggestions
Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.