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Home > Encyclopedia > Perfluorohexane

Perfluorohexane

Perfluorohexane structure

Perfluorohexane 

structure
  • CAS No:

    355-42-0

  • Formula:

    C6F14

  • Chemical Name:

    Perfluorohexane

  • Synonyms:

    Hexane,1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluoro-;Hexane,tetradecafluoro-;1,1,1,2,2,3,3,4,4,5,5,6,6,6-Tetradecafluorohexane;Perfluorohexane;Perfluoro-n-hexane;Tetradecafluorohexane;Flutec PP 1;n-Tetradecafluorohexane;PP 1;Fluorinert FC 72;FC 72;Fluorinert PF 5060;PF 5060;Perflexane;AF 0150;Fluorinert FX 3250D;PFC 51-14;82785-18-0;154452-93-4

  • Categories:

    Cosmetic Ingredient  >  Dissolving Agent

Description

colourless liquid


Liquid


Perfluorohexane is a fluoroalkane that is hexane in which all of the hydrogens have been replaced by fluorines. It has a role as a radioopaque medium and a non-polar solvent. It is a fluorocarbon, a fluoroalkane and a volatile organic compound. It derives from a hydride of a hexane.|Perflexane is a Contrast Agent for Ultrasound Imaging. The mechanism of action of perflexane is as an Ultrasound Contrast Activity.|Perflexane is a fluorinated hydrocarbon and gaseous substance used as an imaging contrast agent in echocardiogram. After administration in microsphere form, perflexane increases ultrasound reflectivity of blood. This leads to an improvement of ultrasound signaling.

Perfluorohexane Basic Attributes

338.04

338.04

1802113

206-585-0

FX3WJ41CMX

DTXSID7046548

C47663

Course, transparent, needle-like crystals|Liquid|Colorless radiolucent liquid

29033990

Characteristics

0

4.83 (est)

Clear colorless Liquid

1.68 g/cm3 @ Temp: 25 °C

-87.1 °C

56.6 °C

56-60°C

1.248

Immiscible with water.soluble in ethyl ether, benzene, chloroform

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.

218 mm Hg at 25 deg C

Odorless

Henry's Law constant = 1.84X10+4 atm-cu m/mol at 25 °C (est)

Global Warming Potential (GWP): Chemical: PFC-5-1-14 (Perfluorohexane, FC-72); GWP: 9,300 (100-Year Time Horizon)|Thermal conductivity: 5.6 mW/m K|Heat of fusion: 1580 cal/mol

Molar Heat of Vaporization (cal): 7307 at BP; 77.93 at 20 °C

Safety Information

III

6.1(b)

2810

3

36/37/38

26-36

MO4310000

Xi

Irritant

Stable. Incompatible with strong oxidizing agents.

P261-P305 + P351 + P338

H315-H319-H335

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. Contact a licensed professional waste disposal service to dispose of this material; Contaminated packaging: Dispose of as unused product.

Incompatible materials: Strong oxidizing agents

|Warning|H315 (72.55%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 104 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Eye/face protection: Safety glasses with side-shields conforming to EN166. 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: Impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.|Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type AXBEK (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).

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.|Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas; Environmental precautions: Do not let product enter drains; Methods and materials for containment and cleaning up: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.

Precautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Normal measures for preventive fire protection.|Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.|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.

Toxicity

IDENTIFICATION AND USE: Perflexane is a liquid. It is used in the electronics industry as a coolant and test bath medium. Non-toxic, non-ozone-depleting, inert reaction medium. It is also used as diagnostic aid (Ultrasound contrast agent). HUMAN EXPOSURE AND TOXICITY: There is no data. ANIMAL STUDIES: In dogs with preexisting pulmonary hypertension, perflexane lipid microspheres (16 mg/kg dose) increased both pulmonary artery pressure (PAP) transiently by an average of 5.7 mmHg (p < 0.05) 2 to 3 min after injection and pulmonary vascular resistance (PVR) by 5.9 mmHg per L/min (p < 0.05) 4 min after injection before returning to preinjection levels.

Perfluoro-n-hexane's production and use as a coolant and ultrasound contrast agent(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 8X10+4(SRC), determined from a structure estimation method(2), indicates that perfluoro-n-hexane is expected to be immobile in soil(SRC). Volatilization of perfluoro-n-hexane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.8X10+4 atm-cu m/mole(SRC), using a fragment constant estimation method(2). However, adsorption to soil is expected to attenuate volatilization(SRC). Perfluoro-n-hexane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 218 mm Hg at 25 °C(3). Biodegradation data in soil were not available(SRC, 2016).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 8X10+4(SRC), determined from a structure estimation method(2), indicates that perfluoro-n-hexane 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 1.8X10+4 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 5 hours and 7 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 2 years if adsorption is considered(4). Perfluoro-n-hexane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). According to a classification scheme(5), an estimated BCF of 720(SRC), from an estimated log Kow of 4.83(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is high, provided the compound is not metabolized by the organism(SRC). Biodegradation data in water were not available(SRC, 2016).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), perfluoro-n-hexane, which has a vapor pressure of 218 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase perfluoro-n-hexane has an estimated atmospheric life-time of 3070 to 3200 years(3,4). Perfluoro-n-hexane has 20-, 100- and 500-year Global Warming Potentials of 4500, 6800 and 9900, respectively(4). Perfluoro-n-hexane does not contain chromophores that absorb at wavelengths >290 nm(5) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Perfluoro-n-hexane has an estimated atmospheric life-time of 3070-3200 years(1,2). Perfluoro-n-hexane has 20-, 100- and 500-year Global Warming Potentials of 4500, 6800 and 9900, respectively(2). Perfluoro-n-hexane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Perfluoro-n-hexane 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).

An estimated BCF of 720 was calculated in fish for perfluoro-n-hexane(SRC), using an estimated log Kow of 4.83(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is high, provided the compound is not metabolized by the organism(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of perfluoro-n-hexane can be estimated to be 8X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that perfluoro-n-hexane is expected to be immobile in soil.

The Henry's Law constant for perfluoro-n-hexane is estimated as 1.8X10+4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that perfluoro-n-hexane is expected to volatilize rapidly 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 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)(2) is estimated as 7 days(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 2 years if adsorption is considered(3). Perfluoro-n-hexane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Perfluoro-n-hexane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 218 mm Hg(4).

Occupational exposure to perfluoro-n-hexane may occur through inhalation and dermal contact with this compound at workplaces where perfluoro-n-hexane is produced or used. Use data indicate that the general population may have limited exposure to perfluoro-n-hexane via ultrasound medical imaging. (SRC)|According to the 2006 TSCA Inventory Update Report, the number of persons reasonably likely to be exposed in the industrial manufacturing, processing, and use of perfluoro-n-hexane is 100 to 999; the data may be greatly underestimated(1).

Drug Information

Diagnostic aid (Ultrasound contrast agent).|Imagent is an IV injected contrast echocardiography agent designed to image the left ventricle after traversing the pulmonary circulation.|... Patients with varying degrees of coronary artery stenosis on quantitative angiography underwent high-mechanical-index myocardial contrast echocardiography at 15 Hz to allow measurement of phasic changes in aBV in large intramyocardial vessels using either Definity (group 1; n=22) or Imagent (group 2; n=22) ... A systolic/diastolic aBV signal ratio of >0.34 provided a sensitivity and specificity of 80% and 71%, respectively, for the detection of >75% coronary stenosis in group 1 patients, whereas a ratio of >0.43 provided a sensitivity and specificity of 89% and 74%, respectively, for the detection of >75% stenosis in group 2 patients. Both the presence and severity of a physiologically significant coronary stenosis can be detected at rest by measuring the increase in aBV on myocardial contrast echocardiography that occurs distally to the stenosis without recourse to any form of stress.|... Twelve patients /were examined. with transcranial ultrasound angiography (t USA) via the temporal bone window after an IV bolus injection of a perfluorocarbon-based microbubble contrast agent (Imagent). The aim was to display the intracranial vessel segments of the middle cerebral artery (M1, M2 and M3), the anterior cerebral artery (A1 and A2), the posterior cerebral artery (P1, P2 and P3) and the internal carotid artery (C1/2 and C3/4). t USA is a B-mode phase inversion imaging technique that uses wideband harmonic signals for image generation ... t USA provides detailed anatomical display at native B-mode spatial resolution with fewer artifacts, yielding improved delineation of intracranial vessels that are in the 1- to 2-mm range.|For more Therapeutic Uses (Complete) data for Perfluoro-n-hexane (16 total), please visit the HSDB record page.

The metabolism and pharmacokinetic characteristics of 1,1-dichloro-2,2,2-trifluoroethane (HCFC-123), 2-chloro-1,1,1,2-tetrafluoroethane (HCFC-124), 1-chloro-1,1-difluoroethane (HCFC-142b), and perfluorohexane (PFH) were studied in rats. The study was part of a program to investigate possible health hazards presented by candidate Halon replacements for use as a fire extinguishant. Male Fischer-344-rats and Sprague-Dawley-rats were exposed nose only to 10,000 parts per million (ppm) HCFC-123, HCFC-124, HCFC-142b, or PFH for 2 hours. Urine samples were collected for 24 hours. The rats were killed 0 or 24 hours after exposure and the tissue distribution of the compounds and their metabolites was determined by gas chromatography and fluorine-19 nuclear magnetic resonance spectroscopy. HCFC-123, HCFC-124, HCFC-142b, and PFH were detected in all tissues of rats killed immediately after exposure. ... Most tissue concentrations of the halocarbons and metabolites were below the detection limit in rats examined 24 hours post exposure. ... No PFH metabolites were detected /in urine/. ...

/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 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. /Halogenated 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 ... . 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 ... . Cover skin burns with sterile dressings after decontamination ... . /Halogenated 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 TKO. 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. Consider vasosupressors if patient is hypotensive with a normal fluid volume. Watch for signs of cardiac irritability and fluid overload ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Halogenated aliphatic hydrocarbons and related compounds/

/HUMAN EXPOSURE STUDIES/ ... Patients with varying degrees of coronary artery stenosis on quantitative angiography underwent high-mechanical-index myocardial contrast echocardiography at 15 Hz to allow measurement of phasic changes in aBV in large intramyocardial vessels using either Definity (group 1; n=22) or Imagent (group 2; n=22) ... A systolic/diastolic aBV signal ratio of >0.34 provided a sensitivity and specificity of 80% and 71%, respectively, for the detection of >75% coronary stenosis in group 1 patients, whereas a ratio of >0.43 provided a sensitivity and specificity of 89% and 74%, respectively, for the detection of >75% stenosis in group 2 patients. Both the presence and severity of a physiologically significant coronary stenosis can be detected at rest by measuring the increase in aBV on myocardial contrast echocardiography that occurs distally to the stenosis without recourse to any form of stress.

AFO 150

Perfluorohexane Use and Manufacturing

Uses

In the electronics industry as a coolant and test bath medium.Non-toxic, non-ozone-depleting, inert reaction medium.


Solvents (for cleaning and degreasing)

Production

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7622]|Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluoro-. Aggregated National Production Volume: < 500,000 pounds.

Intravenous injection of an ultrasound contrast agent (UCA; perflexane lipid microspheres (Imagent)) /IMCOR Pharmacetuical Co./

All other chemical product and preparation manufacturing|Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluoro-: ACTIVE

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients|PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:338.04
XLogP3:5.1
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:3
Exact Mass:337.9776443
Monoisotopic Mass:337.9776443
Heavy Atom Count:20
Complexity:319
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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