o-Cymene
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o-Cymene
structure -
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CAS No:
527-84-4
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Formula:
C10H14
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Chemical Name:
o-Cymene
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Synonyms:
Benzene,1-methyl-2-(1-methylethyl)-;o-Cymene;1-Methyl-2-(1-methylethyl)benzene;o-Cymol;o-Isopropyltoluene;1-Methyl-2-isopropylbenzene;1-Isopropyl-2-methylbenzene;2-Isopropyltoluene;NSC 73976;1-Methyl-2-cumene;α-Cymene;1-Methyl-2-propan-2-ylbenzene;1-Methyl-2-(propan-2-yl)benzene
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CAS No:
Characteristics
0
4.38
Liquid
0.8766 g/cm3 @ Temp: 20 °C
-71.5 °C
178.1 °C
50.6±0.0 °C
1.493
0.0233 mg/mL at 25 °C
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.
3.6 mm Hg ( 37.7 °C)
Henry's Law constant = 0.011 atm-cu m/mol at 25 °C (est)
Colorless, transparent liquids /Cymenes/|Hydroxyl radical reaction rate constant = 8.54X10-12 cu cm/molec-sec at 25 °C (est)
Safety Information
III
3.2
UN 2046 3/PG 3
2
R10
S23-S24/25
DA6127300
Stable under recommended storage conditions.
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity 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 quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.
Personal protective equipment: Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Hand protection: Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. Eye protection: Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin and body protection: Impervious clothing, Flame retardant antistatic protective clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
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 spread fire. 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. /Cymenes/|Suitable extinguishing media: For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Special protective equipment for firefighters: Wear self contained breathing apparatus for fire fighting if necessary. ... Further information: Use water spray to cool unopened containers.
Environmental considerations: Air spill: Apply water spray or mist to knock down vapors. /Cymenes/|Environmental considerations: Water spill: use natural barriers or oil spill control booms to limit spill travel. Remove trapped material with suction hoses. /Cymenes/|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. /Cymenes/|Personal precautions: Use personal protective equipment. Avoid breathing vapors, mist or gas. Remove all sources of ignition. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Use water spray to knock-down vapors. /Cymenes/|Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. /Cymenes/|Avoid inhalation of vapor or mist. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge.|Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Cymenes/|/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Cymenes/|/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Cymenes/|/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Cymenes/|For more DOT Emergency Guidelines (Complete) data for O-CYMENE (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.
o-Cymene was detected in the effluent of rubber manufacturing plants at concentrations of 1-15 ug/cu m(1). o-Cymene was detected, not quantified, in the leachate plume of a closed landfill in Norman, OK; samples were collected Nov 1995 to Apr 1996(2). o-Cymene was detected in the effluent of a hazardous waste incinerator in Germany at a concentration of 2.19 ug/cu m(3).
SOURCE DOMINATED: o-Cymene was identified, not quantified, in the air of 6 industrial cities of the former USSR(1).
Toxicity
LD50 Mouse ip 1315 mg/kg|LD50 Mouse oral 2024 mg/kg|LD50 Rat oral 2130 mg/kg
o-Cymene is a volatile component of the essential oil, olibanum(1). The compound may be present as a mixture component of natural product of plant oils(2), some of which used in seasonings and flavorants in food(SRC).
o-Cymene's production and use as a solvent and chemical intermediate(1) may result in its release to the environment through various waste streams(SRC).
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1140(SRC), determined from a structure estimation method(2), indicates that o-cymene is expected to have low mobility in soil(SRC). Volatilization of o-cymene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.011 atm-cu m/mole(SRC), based upon its vapor pressure, 1.5 mm Hg(3), and water solubility, 23.29 mg/L(4). o-Cymene is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). o-Cymene reached 0% of its theoretical BOD using activated sludge in the Japanese MITI test(5) suggesting that biodegradation is not an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1140(SRC), determined from a structure estimation method(2), indicates that o-cymene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.011 atm-cu m/mole(SRC), derived from its vapor pressure, 1.5 mm Hg(4), and water solubility, 23.29 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 3.5 hours and 4.6 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 300(SRC), from its log Kow of 4.26(7) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is high(SRC). o-Cymene is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). o-Cymene reached 0% of its theoretical BOD using activated sludge in the Japanese MITI test(8) suggesting that biodegradation is not an important environmental fate process in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), o-cymene, which has a vapor pressure of 1.5 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase o-cymene 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 41 hours(SRC), calculated from its rate constant of 8.5X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). o-Cymene does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
The rate constant for the vapor-phase reaction of o-cymene with photochemically-produced hydroxyl radicals has been estimated as 8.5X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 41 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). o-Cymene is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). o-Cymene does not contain chromophores that absorb at wavelengths >290 nm(2) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
An estimated BCF of 300 was calculated in fish for o-cymene(SRC), using a log Kow of 4.26(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC).
Using a structure estimation method based on molecular connectivity indices(1), the Koc of o-cymene can be estimated to be 1140(SRC). According to a classification scheme(2), this estimated Koc value suggests that o-cymene is expected to have low mobility in soil.
The Henry's Law constant for o-cymene is estimated as 0.011 atm-cu m/mole(SRC) derived from its vapor pressure, 1.5 mm Hg(1), and water solubility, 23.29 mg/L(2). This Henry's Law constant indicates that o-cymene is expected to volatilize rapidly 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 3.5 hours(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 4.6 days(SRC). o-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). o-Cymene is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
o-Cymene was identified, not quantified, from volatiles of baked potatoes(1).
Occupational exposure to o-cymene may occur through inhalation and dermal contact with this compound at workplaces where o-cymene is produced or used. Limited monitoring data indicate that the general population may be exposed to o-cymene via ingestion of food. (SRC)
Drug Information
Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aromatic hydrocarbons and related compounds/|Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). 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 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aromatic hydrocarbons 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 severe respiratory distress. Consider drug therapy for pulmonary edema ... . Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... .Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aromatic hydrocarbons and related compounds/
1-methyl-2-isopropylbenzene
o-Cymene Use and Manufacturing
Usually prepared by alkylation of toluene; meta-, ortho- and para-isomers obtained ... Separation of the three isomers by gas chromatography.
Solvents, synthetic-resin manufacture, metal polishes, organic synthesis /Cymenes/
Benzene, methyl(1-methylethyl)-: ACTIVE|Benzene, 1-methyl-2-(1-methylethyl)-: ACTIVE
Gas Chromatographic-Mass Spectrometric determination of volatile organic compd in an urban atmosphere.
Computed Properties
Molecular Weight:134.22
XLogP3:3.4
Rotatable Bond Count:1
Exact Mass:134.109550447
Monoisotopic Mass:134.109550447
Heavy Atom Count:10
Complexity:94.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of o-Cymene
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CN
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Business licensed Certified factoryManufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acidInquiryCAS No.: 527-84-4Grade: Industrial GradeContent: 95%
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