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Hexatriacontane

Hexatriacontane structure

Hexatriacontane 

structure

Description

white shiny flakes


Hexatriacontane is an alkane that has 36 carbons and a straight-chain structure.

Hexatriacontane Basic Attributes

506.97

506.97

211-127-8

ZX65M35102

407536

DTXSID7060885

Waxy solid

Characteristics

0

18.02 (est)

Off-white Wax

0.7819 g/cm3

76.5 °C

298.4 °C

497°C

1.4573

Insoluble in water.

room temp

9.1X10-9 mm Hg at 25 deg C (est)

17.6 (vs air)

White, translucent solid; tasteless; odorless; consisting of a mixture of solid hydrocarbons of high molecular weight e.g. C36H74; Soluble in benzene, ligroin, warm alcohol, chloroform, turpentine, carbon disulfide, and olive oil; Insoluble in water and acids; combustible /Paraffin Wax/

Critical temperature: 872 K; Critical pressure: 0.47 MPa

Safety Information

NONH for all modes of transport

3

S24/25

Stable under recommended storage conditions.

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. Methods and materials for containment and cleaning up: Sweep up and shovel. Keep in suitable, closed containers for disposal.|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: A mean hexatriacontane concentration of approximately 1 ng/cu m was reported in the particulate phase of air samples collected in an urban and industrialized area in Prato, Italy during 2002(1). Hexatriacontane concentrations were 2.8 and 2.0 ng/cu m in particulate phase in the summer and winter, respectively, and 0.2 ng/m3 in vapor phase in both summer and winter; samples were collected in an urban area in Nagoya, Japan in 1991(2).

Toxicity

IDENTIFICATION AND USE: Hexatriacontane is a higher n-alkane containing 36 carbon atoms (C36). HUMAN EXPOSURE AND TOXICITY: There are no data available. ANIMAL STUDIES: The are no data available.

Hexatriacontane is detected in various plants used in food and medicinal applications(1).

Alkanes such as hexatriacontane 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 8.7X10+9(SRC), determined from a structure estimation method(2), indicates that hexatricontane is expected to be immobile in soil(SRC). Volatilization of hexatricontane from moist soil surfaces is expected to be a fate process(SRC) given an estimated Henry's Law constant of 8400 atm-cu m/mole(SRC), using a fragment constant estimation method(2). However, adsorption to soil is expected to attenuate volatilization(SRC). Hexatricontane is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 9.2X10-9 mm Hg at 25 °C(SRC), determined from a fragment constant method(2). A biodegradation oxygen consumption value of 7.6 ug/mL using a soil suspension(3) indicates that biodegradation of hexatriacontane may be a slow environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 8.7X10+9(SRC), determined from a structure estimation method(2), indicates that hexatriacontane 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 8400 atm-cu m/mole(SRC), developed using a fragment constant estimation method(1). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 6.6 and 210 hours, 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 18.02(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A biodegradation oxygen consumption value of 7.6 ug/mL using a soil suspension(3) indicates that biodegradation of hexatriacontane 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), hexatriacontane, which has an estimated vapor pressure of 9.2X10-09 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase hexatriacontane may be removed from the air by wet and dry deposition(SRC). Hexatriacontane 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).

Hexatriacontane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(1). Hexatriacontane 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 hexatriacontane(SRC), using an estimated log Kow of 18.02(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 hexatriacontane can be estimated to be 8.7X10+9 (SRC). According to a classification scheme(2), this estimated Koc value suggests that hexatriacontane is expected to be immobile in soil.

The Henry's Law constant for hexatriacontane is estimated as 8400 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that hexatriacontane 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 6.6 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 9 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). Hexatriacontane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hexatriacontane is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 9.2X10-9 mm Hg(SRC), determined from a fragment constant method(1).

SURFACE WATER: Hexatriacontane concentrations ranged from not detected to 0.1 ug/L in eight stations located in the Guanabara Bay Basin, Rio de Janeiro, Brazil, sampled from September 2011 to August 2012(1).|RAIN/SNOW/FOG: Hexatricontane was detected in 2 of 10 snow samples collected in March 1999 from rural and urban areas in Russia and Finland at 0.70-1.51 ug/kg(1).

According to the 2012 TSCA Inventory Update Reporting data, there are 0 reporting facilities for hexatriacontane(1).|Occupational exposure may be through inhalation and dermal contact with hexatricontane at workplaces where coal and petroleum derived substances are produced or used or where combustion processes are extensive. The general population may be exposed to hexatriacontane through inhalation of polluted air, ingestion of food and contact with water contaminated by combustion effluents. (SRC)

Drug Information

/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-Hexatriacontane (7 total), please visit the HSDB record page.

Hexatriacontane Use and Manufacturing

Methods of 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/

Uses

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/

Hexatriacontane: ACTIVE|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/

Computed Properties

Molecular Weight:507.0
XLogP3:19.1
Rotatable Bond Count:33
Exact Mass:506.57905236
Monoisotopic Mass:506.57905236
Heavy Atom Count:36
Complexity:312
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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