Tritriacontane
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Tritriacontane
structure -
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CAS No:
630-05-7
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Formula:
C33H68
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Chemical Name:
Tritriacontane
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Synonyms:
Tritriacontane;n-Tritriacontane
- Categories:
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CAS No:
Description
white flakes
Tritriacontane is a long-chain alkane consisting of an unbranched chain of 33 carbon atoms.
Tritriacontane Basic Attributes
464.89
464.89
4Y81Q52008
DTXSID5075444
Orthorhombic crystals from ether, benzene
Characteristics
0
16.55 (est)
0.81g/cm3
72 °C
475°C (estimate)
334.7ºC
1.452
In water, 1.41X10-12 mg/L at 25 deg C (est)
Keep container tightly closed in a dry and well-ventilated place.
4.02X10-11 mm Hg at 25 deg C (Extrapolated)
Henry's Law constant: 3.59X10+03 atm-cu m/mol at 25 °C (est)
Safety Information
NONH for all modes of transport
3
22-24/25
Stable. Combustible. Incompatible with strong oxidizing agents.
SRP: 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 air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.|Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging: Dispose of as unused product.
Incompatible materials: Strong oxidizing agents
Eye/face protection: Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).|Skin protection: Handle with gloves.|Body Protection: Choose body protection in relation to its type, to the concentration and amount of dangerous substances, and to the specific work-place.|Respiratory protection: Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Wear self contained breathing apparatus for fire fighting if necessary.|Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Sweep up and shovel. Keep in suitable, closed containers for disposal.
Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire protection.|ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions: Do not let product enter drains.|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.|SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants. Ensure that the local ventilation moves the contaminant away from the worker.|SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
/Higher alkanes/ may cause eye and skin irritation.
URBAN/SUBURBAN: Tritriacontane was detected in particulate air samples from Georgia Tech campus, GA at mean concentrations of 0.66 and 0.88 ng/cu m for summer 2005 and winter 2006, respectively(1). A mean tritriacontane concentration of approximately 5 ng/cu m was reported in the particulate phase of air samples collected in an urban and industrialized area in Prato, Italy during 2002(2). Tritriacontane concentration were 11.4 and 6.9 ng/cu m in particulate phase in the summer and winter, respectively; concentrations of 0.6 and 0.5 ng/cu m were detected in vapor phase in summer and winter, respectively; samples were collected in an urban area in Nagoya, Japan in 1991(3).|RURAL/REMOTE: Tritriacontane was detected in particulate air samples from a rural area of Yorkville, GA at mean concentrations of 0.11 and 0.52 ng/cu m for summer and winter, respectively(1).|SOURCE DOMINATED: Tritriacontane was detected in particulate air samples from an interstate highway in Georgia at a mean concentration of 1.48 and 1.40 ng/cu m for summer and winter, respectively(1). Tritriacontane was detected at 53-560 pg/cu m with a mean of 220 pg/cu m in particulate air samples collected near a highway in Raleigh, NC; concentrations in samples collected 275 meters from the highway contained 75-880 pg/cu m with a mean of 230 pg/cu m(2).
Toxicity
IDENTIFICATION AND USE: Trtriacontane is a higher n-alkane containing 33 carbon atoms (C33). HUMAN EXPOSURE AND TOXICITY: A case report described human disorder characterized by the accumulation of plant long-chain n-alkanes in viscera of a human patient. Diffuse visceral granuloma containing lipophilic crystallized material showed the presence of long-chain n-alkanes including tritriacontane. Study of n-alkane distribution in patient tissues showed a major accumulation in lumbo-aortic lymph nodes, adrenal glands, lung and liver; significantly lower amounts were detected in myocardium and kidney, whereas no detectable level was found in brain. ANIMAL STUDIES: Tritriacontane can contribute to the "paraffin liver" in cows. The very large quantities of the abnormal substance in the cow livers indicate low toxicity, and evidently accumulation over long periods of time.
Tritriacontane is detected in various plants used in food and medicinal applications(1).
Alkanes such as tritriacontane may be components in petroleum products(1) and may be released to the environment through the processing and combustion of petroleum products (SRC).
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1.4X10+9(SRC), determined from a structure estimation method(2), indicates that tritriacontane is expected to be immobile in soil(SRC). Volatilization of tritriacontane from moist soil surfaces is expected(SRC) given an estimated Henry's Law constant of 3600 atm-cu m/mole(SRC), using a fragment constant estimation method(2). However, adsorption to soil is expected to attenuate volatilization(SRC). Tritriacontane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 4.02X10-11 mm Hg at 25 °C(3). Biodegradation oxygen consumption values of 8.2 and 7.6 ug/mL for analogous tetracosane (C24) and hexatriacontane (C36), respectively, using a soil suspension(4) indicate that biodegradation of tritriacontane may be a slow environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1.4X10+9(SRC), determined from a structure estimation method(2), indicates that tritriacontane 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 3600 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 6.3 hours and 8.5 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is more than 2 years if adsorption is considered (4). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 16.55(2), and a regression-derived equation(2) suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation oxygen consumption values of 8.2 and 7.6 ug/mL for analogous tetracosane (C24) and hexatriacontane (C36), respectively, using a soil suspension(6) indicate that biodegradation of hentriacontane may be a slow environmental fate process in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tritriacontane, which has an extrapolated vapor pressure of 4.02X10-11 mm Hg at 25 °C(2), is expected to exist solely in the particulate phases in the ambient atmosphere(SRC). Particulate-phase tritriacontane may be removed from the air by wet and dry deposition(SRC). Tritriacontane does not contain chromophores that absorb at wavelengths >290 nm(3) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
Tritriacontane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(1). Tritriacontane does not contain chromophores that absorb at wavelengths >290 nm(1) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
An estimated BCF of 3 was calculated in fish for tritriacontane(SRC), using an estimated log Kow of 16.55(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Using a structure estimation method based on molecular connectivity indices(1), the Koc of tritriacontane can be estimated to be 1.4X10+9(SRC). According to a classification scheme(2), this estimated Koc value suggests that tritriacontane is expected to be immobile in soil.
The Henry's Law constant for tritriacontane is estimated as 3600 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that tritriacontane is expected to volatilize from water surfaces(2). 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)(2) is estimated as 6 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)(2) is estimated as 8 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is greater than 2 years when adsorption is considered(3). Tritriacontane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Tritriacontane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 4.02E-11 mm Hg at 25 °C(4).
SURFACE WATER: Tritriacontane concentrations ranged from 0.01 to 0.25 ug/L in eight stations located in the Guanabara Bay Basin, Rio de Janeiro, Brazil, sampled from September 2011 to August 2012(1).
Occupational exposure to tritriacontane may occur through inhalation and dermal contact with this compound at workplaces where petroleum products are used or processed. Monitoring data indicate that the general population may be exposed to tritriacontane via inhalation of polluted air, ingestion of food and contact with water contaminated by combustion effluents. (SRC)
Drug Information
362.99 Days
/SRP:/ 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 if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the 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. /Aliphatic hydrocarbons and related compounds/|/SRP:/ 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 ... . 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 ... . Treat frostbite with rapid rewarming techniques ... ./Aliphatic hydrocarbons and related compounds/|/SRP:/ 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. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias as 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 (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aliphatic hydrocarbons and related compounds/|Emergency and supportive measures. 1. General. Provide basic supportive care for all symptomatic patients. Maintain an open airway and assist ventilation if necessary. Administer supplemental oxygen. Monitor arterial blood gases or oximetry, chest radiographs, and ECG and admit symptomatic patients to an intensive care setting. Use epinephrine and other beta-adrenergic medications with caution in patients with significant hydrocarbon intoxication because arrhythmias may be induced. 2. Pulmonary aspiration. Patients who remain completely asymptomatic after 4-6 hours of observation may be discharged. In contrast, if the patient is coughing on arrival, aspiration probably has occurred. Administer supplemental oxygen and treat bronchospasm and hypoxia if they occur. Do not use steroids or prophylactic antibiotics. 3. Ingestion. In the vast majority of accidental childhood ingestions, less than 5-10 mL is actually swallowed and systemic toxicity is rare. Treatment is primarily supportive. Injection. For injections into the fingertip or hand, especially those involving a high-pressure paint gun, consult with a plastic or hand surgeon immediately, as prompt wide exposure, irrigation, and debridement are often required. /Hydrocarbons/|For more Antidote and Emergency Treatment (Complete) data for n-Tritriacontane (7 total), please visit the HSDB record page.
/CASE REPORTS/ This report deals with a new human disorder characterized by the accumulation of plant long-chain n-alkanes in viscera of a human patient. Lipid analysis of tissues from an adult male after sudden death (affected with diffuse visceral granuloma containing lipophilic crystallized material) showed the presence of abnormal compounds identified as long-chain n-alkanes with 29 (n-nonacosane), 31 (n-hentriacontane) and 33 carbons (n-tritriacontane). Study of n-alkane distribution in patient tissues showed a major accumulation in lumbo-aortic lymph nodes, adrenal glands, lung (the highest levels were found in lung granulomas) and liver; significantly lower amounts were detected in myocardium and kidney, whereas no detectable level was found in brain. On the basis of the structural composition and of the tissue distribution of the accumulated n-alkanes, their dietary (plant) origin and the pathophysiological mechanism of the storage are discussed.
tritriacontane
Tritriacontane Use and Manufacturing
The liquefaction of coal provides the greatest variety of saturated hydrocarbons. The Fischer-Tropsch synthesis produces alkanes from syngas (CO + H2) in the range C1 to C30 or higher depending on the process variant: depending on the catalyst employed, the synthesis yields predominantly liquid hydrocarbons in the gasoline range, along with gases from C1 to C4 when iron-based catalysts are used, while cobalt-based catalysts produce longer chain hydrocarbons in the diesel and wax range that often undergo, depending of the desired product slate, further processing, especially for gasoline generation. While iron-based Fischer-Tropsch catalysts generate complex mixtures that also include branched and olefinic hydrocarbons, cobalt-based catalysts produce streams that are rich in n-alkanes and are therefore suitable raw materials for detergents and for wax products. /Saturated Hydrocarbons/|Suitable sources for n-alkanes with more than six carbon atoms are the appropriate petroleum distillate fractions, from which the n-paraffins can be isolated in high isomeric purity (= 95% linearity) by selective separation techniques, especially fractional distillation. /Higher n-Alkanes/
They are used mainly in applications for which isoalkanes are not acceptable for biological reasons, e.g., the production of detergents or proteins. /Higher n-Alkanes/|Solid n-alkanes (paraffin waxes) are used in a variety of applications, e.g., ... oxidation, and chlorination reactions. /Higher n-Alkanes/
Gas-phase dehydrogenation of n-alkanes over noble-metal catalysts yield the corresponding n-alkenes at low conversion rates (ca. 10%) with predominantly internal double bonds. The corresponding alkenes can be isolated in high purity by selective molecular-sieve processes. /Higher n-Alkanes/
/The objective was/ to study the chemical constituents from Kalimeris indica. Compounds were isolated and purified with silica gel and Sephadex LH-20 column chromatography, their structures were determined by using spectroscopic analysis including MS and NMR. Nine compounds were isolated and identified as tritriacontane (I), hexadecanol (II), chrysophanol (III), vanillin (IV), physcion (V), beta-sitosterol (VI), stigmasterol (VII), leinoleic acid (VII), emodin (IX).All of them, except compound IV, VI, are isolated from this genus for the first time. Compound III, IV had the protective effects with the toxicity of CCl4 on primary cultered hepatocytes.
Fatty Acyls [FA] -> Hydrocarbons [FA11]
Computed Properties
Molecular Weight:464.9
XLogP3:17.5
Rotatable Bond Count:30
Exact Mass:464.532102169
Monoisotopic Mass:464.532102169
Heavy Atom Count:33
Complexity:277
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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