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Home > Encyclopedia > Perfluoropropane

Perfluoropropane

pharmaceutical raw materials
Perfluoropropane structure

Perfluoropropane 

structure
  • CAS No:

    76-19-7

  • Formula:

    C3F8

  • Chemical Name:

    Perfluoropropane

  • Synonyms:

    Propane,1,1,1,2,2,3,3,3-octafluoro-;Propane,octafluoro-;1,1,1,2,2,3,3,3-Octafluoropropane;Octafluoropropane;Freon 218;Perfluoropropane;Genetron 218;R 218;FC 218;FC 218 (refrigerant);HFC 218;FS 069;PFC 218;Perflutren;Definity;Optison;Meforex 218;DMP 115;MRX 115;UN 2424;F 218;MRH 815H;YM 454;Khladon 218;300408-51-9;218599-63-4

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

Perfluoropropane is a colorless, odorless gas belonging to a fluorocarbon and fluoroalkane. It is chemically inactive in many cases, but reacts violently with strong reducing agents, such as very active metals and reactive metals, and will be oxidized in strong oxidants and extreme temperatures. Perfluoropropane has a melting point of -183 degrees Celsius, a boiling point of -39 degrees Celsius, and a density of 1.35.

Perfluoropropane Basic Attributes

188.02

188.02

200-941-9

CK0N3WH0SR

2424

DTXSID9052503

C47664

Colorless, nonflammable gas

V08DA04|V08DA01

Characteristics

0

3

Octafluoropropane is a colorless, odorless gas. It is relatively inert. The mixture is nonflammable and nontoxic, though asphyxiation may occur because of displacement of oxygen. Exposure of the container to prolonged heat or fire can cause it to rupture violently and rocket.

1.352 at 20 deg C (liquid)

-147.6 °C

-36.6 °C

1.221

1.46e-01 g/L

Store between 2-8 deg C (36-46 deg F).

6.63X10+3 mm Hg at 25 deg C

LD50 intravenous in dog: > 20mL/kg

Henry's Law constant = 33.0 atm-cu m/mol at 25 °C (est)

Ozone Depletion Potential = 0|Global Warming Potentials: 100-yr horizon 7000-8830; 500-year horizon 12,500|100-Yr Global Warming Potential = 6950|Specific volume: 2.02 cu ft/lb at 21 degC, 1 atmopshere

No rapid reaction with air. No rapid reaction with water.

Fluorinated Organic Compounds

OCTAFLUOROPROPANE is chemically inert in many situations, but can react violently with strong reducing agents such as the very active metals and the active metals. They suffer oxidation with strong oxidizing agents and under extremes of temperature.

Critical temperature: 71.9 °C; critical pressure: 25.45 atmosphere; critical density: 0.629

Safety Information

2.2

2424

9-23-38

F

P41, P403

H280

SRP: Expired or waste pharmaceuticals shall carefully take into consideration applicable DEA, EPA, and FDA regulations. It is not appropriate to dispose by flushing the pharmaceutical down the toilet or discarding to trash. If possible return the pharmaceutical to the manufacturer for proper disposal being careful to properly label and securely package the material. Alternatively, the waste pharmaceutical shall be labeled, securely packaged and transported by a state licensed medical waste contractor to dispose by burial in a licensed hazardous or toxic waste landfill or incinerator.

The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including perflutren, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: Some may burn but none ignite readily. Containers may explode when heated. Ruptured cylinders may rocket. (ERG, 2016)

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 91 companies from 3 notifications to the ECHA C&L Inventory.|H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]|P410+P40, and 410+P403|Aggregated GHS information provided by 197 companies from 6 notifications to the ECHA C&L Inventory.|H280: Contains gas under pressure; may explode if heated [Warning Gases under pressure]

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: Use extinguishing agent suitable for type of surrounding fire. SMALL FIRE: Dry chemical or CO2. LARGE FIRE: Water spray, fog or regular foam. Move containers from fire area if you can do it without risk. Damaged cylinders should be handled only by specialists. FIRE INVOLVING TANKS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Do not direct water at source of leak or safety devices; icing may occur. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. Some of these materials, if spilled, may evaporate leaving a flammable residue. (ERG, 2016)

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: As an immediate precautionary measure, isolate spill or leak area for at least 100 meters (330 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 500 meters (1/3 mile). 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)

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: Do not touch or walk through spilled material. Stop leak if you can do it without risk. Do not direct water at spill or source of leak. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. If possible, turn leaking containers so that gas escapes rather than liquid. Prevent entry into waterways, sewers, basements or confined areas. Allow substance to evaporate. Ventilate the area. (ERG, 2016)

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: 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 will only provide limited protection. (ERG, 2016)

The average emissions of octafluoropropane calculated over five year periods was as follows (Gg/yr): 1977-1982, 0.04; 1982-1987, 0.21; 1987-1992, 0.11; and 1992-1997, 0.48(1). Time-average global emissions of 0.12 for 1975-1979, 0.20 for 1980-1989, 0.26 for 1985-1989, 0.28 for 1990-1994, 0.65 for 1995-1999, 1.01 for 200-2004, and 0.76 Gg/yr 2005-2008 have been estimated(2).

RURAL/REMOTE: Octafluoropropane concentrations in background air at Cape Meares, Oregon, Point Barrow, Alaska, and Palmer Station, Antarctica(1).

Toxicity

There is new temporal evidence that perflutren may be associated with new-onset seizure activity following perflutren microbubble contrast injection during dobutamine-atropine stress echocardiography. [PMID: 23432576]

It is not known whether perflutren-containing microspheres are excreted in human milk. Based on the rapid clearance of this drug, advise nursing mothers to pump and discard breast milk once after treatment. Because many drugs are excreted in human milk, caution should be exercised when perflutren-containing microsphere products are administered to a nursing mother.

Octafluoropropane's production and use as a electrical insulating gas; refrigerant, plasma processing gas; fire protection agent, ultrasound contrast agent, and as an adjunct in repair of retinal detachment(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 900(SRC), determined from a structure estimation method(2), indicates that octafluoropropane is expected to have low mobility in soil(SRC). Volatilization of octafluoropropane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 33 atm-cu m/mole(SRC), based upon its vapor pressure, 6630 mm Hg(3), and water solubility, 5.7 mg/L(4). Octafluoropropane is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Biodegradation data in soil were not available(SRC, 2012).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 900(SRC), determined from a structure estimation method(2), indicates that octafluoropropane 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 33 atm-cu m/mole(SRC), derived from its vapor pressure, 6630 mm Hg(4), and water solubility, 5.7 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 4 hours and 5 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 34(SRC), from an estimated log Kow of 2.82(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Biodegradation data in water were not available(SRC, 2012).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), octafluoropropane, which has a vapor pressure of 6630 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Octafluoropropane has an Ozone Depletion Potential of zero(3), a calculated atmospheric lifetime of 2600 years(4), and calculated 100-yr Global Warming Potential of 7000(5). Octafluoropropane does not contain chromophores that absorb at wavelengths >290 nm(6), and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Octafluoropropane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(1). Octafluoropropane has an Ozone Depletion Potential of zero(2). An atmospheric lifetime of 2600 years(3,4) and a 100-year Global Warming Potential of 7000(5) have been calculated. The compound does not contain chromophores that absorb at wavelengths >290 nm(1) and therefore it is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 34 was calculated in fish for octafluoropropane(SRC), using an estimated log Kow of 2.82(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of octafluoropropane is estimated to be 900(SRC). According to a classification scheme(2), this estimated Koc value suggests that octafluoropropane is expected to have low mobility in soil.

The Henry's Law constant for octafluoropropane is estimated as 33 atm-cu m/mole(SRC) derived from its vapor pressure, 6.63X10+3 mm Hg(1), and water solubility, 5.7 mg/L(2). This Henry's Law constant indicates that octafluoropropane 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 4 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 5 days(SRC). Octafluoropropane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of octafluoropropane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).

According to the 2006 TSCA Inventory Update Reporting data, the number of persons reasonably likely to be exposed in the industrial manufacturing, processing, and use of octafluoropropane is 1 to 99; the data may be greatly underestimated(1).|Occupational exposure to octafluoropropane may occur through inhalation and dermal contact with this compound at workplaces where octafluoropropane is produced or used. Limited monitoring data indicate that the general population may be exposed to octafluoropropane via inhalation of ambient air. Exposure to octafluoropropane among the general population may include those administered the drug perflutren, a contrast agent. (SRC)

Drug Information

Used as an ultrasound contrast imaging in cardiology and radiology.|FDA Label|This medicinal product is for diagnostic use only.Luminity is an ultrasound contrast-enhancing agent for use in patients in whom non-contrast echocardiography was suboptimal (suboptimal is considered to indicate that at least two of six segments in the 4- or 2-chamber view of the ventricular border were not evaluable) and who have suspected or established coronary artery disease, to provide opacification of cardiac chambers and improvement of left ventricular endocardial border delineation at both rest and stress.|This medicinal product is for diagnostic use only.Optison is a transpulmonary echocardiographic contrast agent for use in patients with suspected or established cardiovascular disease to provide opacification of cardiac chambers, enhance left-ventricular-endocardial-border delineation with resulting improvement in wall-motion visualisation.Optison should only be used in patients where the study without contrast enhancement is inconclusive.

Contrast Media; Fluorocarbons|THERAPEUTIC CATEGORY: Diagnostic aid (ultrasound contrast agent). Adjunct in repair of retinal detachment|Activated Perflutren Lipid Microsphere Injectable Suspension is indicated for use in patients with suboptimal echocardiograms to opacify the left ventricular chamber and to improve the delineation of the left ventricular endocardial border. /Included in US product label/

/BOXED WARNING/ Serious cardiopulmonary reactions, including fatalities, have occurred uncommonly during or following perflutren-containing microsphere administration. Most serious reactions occur within 30 minutes of administration. Assess all patients for the presence of any condition that precludes perflutren-containing microsphere administration. Always have resuscitation equipment and trained personnel readily available.|Do not administer Perflutren to patients with known or suspected: right-to-left, bi-directional, or transient right-to-left cardiac shunts; hpersensitivity to perflutren. Do not administer Perflutren by intra-arterial injection.|Serious cardiopulmonary reactions including fatalities have occurred uncommonly during or shortly following perflutren-containing microsphere administration, typically within 30 minutes of administration. The risk for these reactions may be increased among patients with unstable cardiopulmonary conditions (acute myocardial infarction, acute coronary artery syndromes, worsening or unstable congestive heart failure, or serious ventricular arrhythmias). Always have cardiopulmonary resuscitation personnel and equipment readily available prior to Perflutren administration and monitor all patients for acute reactions. The reported reactions include: fatal cardiac or respiratory arrest, shock, syncope, symptomatic arrhythmias (atrial fibrillation, tachycardia, bradycardia, supraventricular tachycardia, ventricular fibrillation, ventricular tachycardia), hypertension, hypotension, dyspnea, hypoxia, chest pain, respiratory distress, stridor, wheezing, loss of consciousness, and convulsions.|In postmarketing use, uncommon but serious anaphylactoid reactions were observed during or shortly following perflutren-containing microsphere administration including: Shock, hypersensitivity, bronchospasm, throat tightness, angioedema, edema (pharyngeal, palatal, mouth, peripheral, localized), swelling (face, eye, lip, tongue, upper airway), facial hypoesthesia, rash, urticaria, pruritus, flushing, and erythema have occurred in patients with no prior exposure to perflutren-containing microsphere products.|For more Drug Warnings (Complete) data for Octafluoropropane (17 total), please visit the HSDB record page.

Perflutren, a diagnostic drug that is intended to be used for contrast enhancement during the indicated echocardiographic procedures, comprised of lipid-coated microspheres filled with octafluoropropane(OFP) gas. It provide contrast enhancement of the endocardial borders during echocardiography. The perflutren lipid microspheres exhibit lower acoustic impedance than blood and enhance the intrinsic backscatter of blood.

Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)

Human pharmacokinetics information is not available for the intact or degassed lipid microspheres. The pharmacokinetics of octafluoropropane gas (OFP) was evaluated in healthy subjects (n=8) after the IV administration of activated perflutren-containing microspheres at a 50 uL/kg dose. ... OFP was not detectable after 10 minutes in most subjects either in the blood or in expired air.|OFP gas binding to plasma proteins or partitioning into blood cells has not been studied. However, OFP protein binding is expected to be minimal due to its low partition coefficient into whole blood.|It is not known whether perflutren-containing microspheres are excreted in human milk.|A physiologically based pharmacokinetic model was developed to evaluate the kinetics of one of the newest sonographic contrast agents available, FS069 or Optison. This material consists of octafluoropropane gas encapsulated in proteinaceous microspheres, injected intravenously for use as a myocardial contrast agent in humans. This model has six compartments: two lung compartments (alveolar and dead volume), and compartments for the heart, slowly perfused tissue, richly perfused tissue, and gastrointestinal tract. The model was developed to determine the distribution and excretion of the octafluoropropane in the body. Despite the high affinity of octafluoropropane for tissue, the model predicted that nearly 100% of the material would be exhaled from the lungs within 6 min. The model verified the results of a phase I clinical trial with 10 healthy subjects. Ventilation rate was found to play a critical role in the complete excretion of this contrast agent. ...

OFP is not metabolized. The phospholipid components of the microspheres are thought to be metabolized to free fatty acids.|OFP is a stable gas that is not metabolized. The phospholipid components of the microspheres are thought to be metabolized to free fatty acids.

The mean half-life of OFP in blood 1.9 minutes|OFP concentrations in blood were shown to decline in a mono-exponential fashion with a mean half-life of 1.3 minutes in healthy subjects.|The pharmacokinetics of octafluoropropane gas (OFP) was evaluated in subjects (n=11) with chronic obstructive pulmonary disease (COPD). The mean half-life of OFP in blood was 1.9 minutes. The total lung clearance of OFP was similar to that in healthy subjects.

Perflutren is comprised of gas-filled microspheres that are injected or infused into the body. When exposed to ultrasound waves, the microspheres resonate and "echo" strong signals back to the ultrasound machine. The difference in density between the gas-filled bubbles and the blood around them creates an increased level of contrast visible in the resulting ultrasound image. During echocardiography, activated Perflutren enhances images of the inner edges or borders of the heart, producing an improved image that may enable physicians to better diagnose patients.|Perflutren lipid microspheres exhibit lower acoustic impedance than blood and enhance the intrinsic backscatter of blood. These physical acoustic properties of activated perflutren-containing microspheres provide contrast enhancement of the left ventricular chamber and aid delineation of the left ventricular endocardial border during echocardiography.

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: Vapors may cause dizziness or asphyxiation without warning. Vapors from liquefied gas are initially heavier than air and spread along ground. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Fire may produce irritating, corrosive and/or toxic gases. (ERG, 2016)

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with liquefied gas, thaw frosted parts with lukewarm water. Keep victim calm and warm. (ERG, 2016)

/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. /Poisons A and B/|/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 needed. 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 ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/|/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 ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . 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 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 ... . /Poisons A and B/

/SIGNS AND SYMPTOMS/ The following adverse reactions have been identified during the post-marketing use of perflutren-containing microsphere products. ... Cardiopulmonary: Fatal cardiac or respiratory arrest, shock, syncope, symptomatic arrhythmias (atrial fibrillation, tachycardia, bradycardia, supraventricular tachycardia, ventricular fibrillation, ventricular tachycardia), hypertension, hypotension, dyspnea, hypoxia, chest pain, respiratory distress, stridor, wheezing. Anaphylactoid: Anaphylactic/anaphylactoid reaction, anaphylactic shock, hypersensitivity, bronchospasm, throat tightness, angioedema, edema (pharyngeal, palatal, mouth, peripheral, localized), swelling (face, eye, lip, tongue, upper airway), facial hypoesthesia, rash, urticaria, pruritus, flushing, erythema. Neurologic: Coma, loss of consciousness, convulsion, seizure, transient ischemic attack, agitation, tremor, vision blurred, dizziness, headache, fatigue.|/SIGNS AND SYMPTOMS/... Events typically occurred within 30 minutes of perflutren-containing microsphere administration. These serious events may be increased among patients with unstable cardiopulmonary conditions (acute myocardial infarction, acute coronary artery syndromes, worsening or unstable congestive heart failure, or serious ventricular arrhythmias.|/SIGNS AND SYMPTOMS/ Serious cardiopulmonary reactions including fatalities have occurred uncommonly during or shortly following perflutren-containing microsphere administration, typically within 30 minutes of administration. The risk for these reactions may be increased among patients with unstable cardiopulmonary conditions (acute myocardial infarction, acute coronary artery syndromes, worsening or unstable congestive heart failure, or serious ventricular arrhythmias). ... The reported reactions include: fatal cardiac or respiratory arrest, shock, syncope, symptomatic arrhythmias (atrial fibrillation, tachycardia, bradycardia, supraventricular tachycardia, ventricular fibrillation, ventricular tachycardia), hypertension, hypotension, dyspnea, hypoxia, chest pain, respiratory distress, stridor, wheezing, loss of consciousness, and convulsions.|/CASE REPORTS/ ... This report describes a case of sudden death approximately 5 minutes after the intravenous administration of 0.5 mL of perflutren contrast agent (Definity) during transthoracic echocardiography with suboptimal baseline images performed 10 days after coronary artery bypass graft surgery because of hypotension and tachycardia in a 73-year-old patient with severe left ventricular systolic dysfunction. Autopsy did not reveal a clear direct relationship between perflutren and death. ...|For more Human Toxicity Excerpts (Complete) data for Octafluoropropane (9 total), please visit the HSDB record page.

C3F8-gas

Perfluoropropane Use and Manufacturing

Methods of Manufacturing

Octafluoropropane (PFC 218) can be produced by direct, electrochemical, or CoF3-fluorination of commercially available hexafluoropropene.|Preparation: J.H. Simons, US 2456027 (1948 to Minnesota Mining Manufacturing)

Uses

Used for refrigerator, foaming of polyurethane insulation material

Production

Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#8067]|Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Dithionous acid, sodium salt (1:2). Aggregated National Production Volume: 1 to <10 million lbs.

Definity (perflutren lipid microsphere) injectable suspension|98% minimum purity. Nonflammable

Computer and electronic product manufacturing|Propane, 1,1,1,2,2,3,3,3-octafluoro-: ACTIVE

Human drugs -> Luminity -> EMA Drug Category|Contrast media -> Human pharmacotherapeutic group|Human drugs -> Optison -> EMA Drug Category|Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients|Cosmetics -> Hair conditioning; Humectant; Skin conditioning|PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:188.02
XLogP3:3.1
Hydrogen Bond Acceptor Count:8
Exact Mass:187.98722530
Monoisotopic Mass:187.98722530
Heavy Atom Count:11
Complexity:120
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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