Hexafluoroethane

HCID 6431

Basic information

CAS
76-16-4
Standard SMILES
FC(F)(F)C(F)(F)F
InChIKey
WMIYKQLTONQJES-UHFFFAOYSA-N
Molecular formula
C2F6
Average molar mass
138.01 g/mol
Monoisotopic mass
137.99041897

Overview

Hexafluoroethane is a colorless, odorless gas. It is relatively inert. The mixture is nonflammable and nontoxic, though asphyxiation may occur because of displacement of oxygen. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket.

Names & identifiers

Preferred name
Hexafluoroethane
IUPAC
1,1,1,2,2,2-hexafluoroethane
English name
Hexafluoroethane
Molecular formula
C2F6
Molecular weight
138.01

Names & synonyms

HEXAFLUOROETHANEPerfluoroethane76-16-4Ethane, hexafluoro-Freon 116F 116R 1167VL5Z0IY3ADTXSID2041915CHEBI:32905RefChem:146009DTXCID0021915
Show more names
200-939-81,1,1,2,2,2-HexafluoroethaneC2F6MFCD00000428Ethane, 1,1,1,2,2,2-hexafluoro-EINECS 200-939-8UN2193UNII-7VL5Z0IY3A

Database identifiers

CAS
76-16-4
PubChem CID
6431
DTXSID
DTXSID2041915
ChEMBL
CHEMBL116574
ChEBI
CHEBI:32905
UNII
7VL5Z0IY3A
EC Number
200-939-8
Nikkaji
J352B

Properties

Computed structural properties

XLogP
2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

PFAS · 5 items

PFAS -> Other Nonpolymers

PFAS -> non-polymer

PFAS -> Other/unspecified

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

SolventsSolvents -> Chlorofluorocarbons
SpringerMaterials PropertiesSchoenflies notation
LogP · 2 items

log Kow = 2.0

2.0

Density · 2 items

Density: 1.590 g/cu cm at -78 °C

4.76 (air=1)

Color/FormColorless gas

Physicochemical properties

Melting point
-100.7 °C · -100.7 °C
Boiling point
-78.1 °C · -78.1 °C
Density
1.85 g/cm3 · 1.85 g/cm3(Temp: -192 °C)
Symbol(GHS)
4 · GHS04
Signal word
Warning
Hazard statements
280 · H280

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]

P410+P403</a, and a href="https://pubchem.ncbi.nlm.nih.gov/ghs/#P410+P403">P410+P403 (click each P-code to see the statement)

Aggregated GHS information provided per 145 reports by companies from 4 notifications to the ECHA C&L Inventory.

Not Classified

Warning

Hazard information

Regulatory Information · 5 items

Chemical: Ethane, hexafluoro-

Ethane, 1,1,1,2,2,2-hexafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1,1,2,2,2-hexafluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Perfluoroethane (EC: 200-939-8)

Hexafluoroethane: Non hazardous

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelNon-Flammable Gas
Fire Hazards · 2 items

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:

· Some may burn but none ignite readily.

Fire PotentialHexafluoroethane is a nonflammable liquid and gas.
Health Hazards · 2 items

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

Hazards Summary · 1 item

In confined space spill, may displace air and act as simple asphyxiant; Evaporating liquid can cause frostbite; [CAMEO] In confined space spill, may displace air and act as simple asphyxiant; Evaporating liquid can cause frostbite; Inhalation of high concentrations can cause CNS depression and cardiac arrhythmias; [MSDSonline]

Safety & protection

Fire FightingExcerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:
Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch or walk through spilled material.

First Aid · 2 items

Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 4 items

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.

Use water spray to cool unopened containers.

Hexafluoroethane is a nonflammable liquid and gas. Use extinguishing agents suitable for type of surrounding fire ... Vapors are heavier than air and will collect in low areas. Containers may explode in fire. Storage containers and parts of containers may rocket great distances, in many directions. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agenecies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position. ... The only respirators recommended for firefighting are self-contained breathing apparatuses that have full face-pieces and are operated in a pressure-demand or other positive-pressure mode.

Storage Conditions · 2 items

Keep container tightly closed in a dry and well-ventilated place. Contents under pressure.

Store in tightly closed containers in a cool, well-ventilated area away from metals, including aluminum, zinc, and beryllium, and from open flames or temperatures above 52 °C.

Toxicology

Interactions · 2 items

The potential of the test substance to sensitize the heart to a challenge of epinephrine injection was tested in beagle dogs. Beagle dogs received a control injection of epinephrine (0.008 mg/kg) intravenously prior to exposure and a challenge injection (same dosage) after breathing the test material for five minutes. The test substance on a volume to volume basis in air, did not produce cardiac sensitization in 12 healthy, male, beagle dogs which were tested. On the basis of this experimental study, cardiac sensitization does not appear to pose a serious hazard to mammals exposed to the test substance at a concentration of 20% or less (V/V in air), or a mixture with N2O at a concentration of 20% test substance and ~4% N2O (V/V in air).

Fifteen rabbits (30 eyes) were divided into 3 experimental groups, the contralateral eyes in same animals served as the controls. Eyes in group A and B received two vitreous injections of 15 IU of hyaluronidase at an interval of 5 d. The eyes in group C and all control eyes were injected with balanced salt solution (BSS). Seven days after injection, the experimental eyes in group A and C received 0.5 mL of C(2)F(6) injection. The ocular and retinal signs were examined for 8 following weeks and then killed for histological examination. Five eyes in group A (100.0%) showed complete separation of the vitreous cortex from the retina (PVD), three eyes in group B (60.0%) showed partial PVD, and no PVD was detected in group C and all control eyes. On electroretinogram no significant difference was found in amplitude and latency of a-(or b-) wave in both experimental and control eyes, between before and after experiments. No evidence of ocular or retinal toxicity was revealed by light or scanning electronic microscopy in all eyes. Vitreous injection of hyaluronidase combined with perfluoroethane, as a safety method, can induce posterior vitreous detachment without mechanical vitrectomy.

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a structure estimation method(2), indicates that perfluoroethane is expected to have moderate mobility in soil(SRC). Volatilization of perfluoroethane from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 20.3 atm-cu m/mole(3). Perfluoroethane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 25,100 mm Hg at 25 °C(4). Biodegradation data in soil were not available(SRC, 2016).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a structure estimation method(2), indicates that perfluoroethane is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 20.3 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 3 hours and 5 days, respectively(SRC). Perfluoroethane 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 10(SRC), from its log Kow of 2.00(6) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(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), perfluoroethane, which has a vapor pressure of 25,100 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase perfluoroethane has an estimated atmospheric life-time of 500 to 10,000 years(3-5). Perfluoroethane has 20-, 100- and 500-year Global Warming Potentials of 8200, 9200-12,500 and 17,300-19,100(4-7), respectively. Perfluoroethane does not contain chromophores that absorb at wavelengths >290 nm(8) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity Summary · 1 item

IDENTIFICATION AND USE: Perfluoroethane is a colorless gas. It is used as dielectric and coolant, aerosol propellant, refrigerant. Perfluoroethane is studied for its possible value as intravitreal tamponades in retinal surgery. HUMAN EXPOSURE AND TOXICITY: Perfluoroethane did not induce structural or numerical chromosome aberrations in human peripheral blood lymphocytes in either the non-activated or metabolically -activated test systems. The major complications in patients after vitreous surgery and one of two perfluorocarbon gases were increased intraocular pressure, which was usually transient, and gas-induced lens opacities. ANIMAL STUDIES: Acute exposure of rats to the test substance at concentrations of 20% by volume in air for 2 hours or 80% by volume in oxygen for 4 hours was not lethal and produced marginal signs of intoxication either during or after exposure or on gross pathological examination 14 days later. It did not show cardiac sensitization in beagle dogs at exposure levels of 200,000 ppm. 14-Day rat study including examination of FOB (Functional Observational Battery) and motor activity end-points, identifies a NOAEL of 50,000 ppm established based on the absence of effects in all end-points at the highest concentration tested. Perfluoroethane was not toxic in developmental studies in rats. Micronucleus evaluation from repeated inhalation exposure of male and female rats to 0, 2500, 10000, or 50000 ppm was negative.

Effluent Concentrations · 1 item

The increasing concentrations of perfluoroethane in the atmosphere are attributed mainly to aluminum manufacturing and electronic chip production(1-2). Monitoring of 8 aluminum smelters in Quebec Province, Canada (about 11% of the global aluminum production) was conducted during a 6-month period in 1993-1994(3). The emission of perfluoroethane was <1 ppb volume for periods between anode events; the average flux per anode event (a total of 1,105 events) ranged between 0.02 to 0.08 kg(3). Perfluoroethane emissions from plasma-etching process in the production of semiconductors have increased from 200 tons/year in the early 1990s to 700 tons/year in the late 1990s(4). Perfluoroethane was detected in stack emissions from waste incineration(5).

Soil Adsorption/Mobility · 1 item

Using a structure estimation method based on molecular connectivity indices(1), the Koc of perfluoroethane can be estimated to be 200(SRC). According to a classification scheme(2), this estimated Koc value suggests that perfluoroethane is expected to have moderate mobility in soil.

Safety data

Signal word
Warning
Symbol(GHS)
GHS04
Hazard statements
H280
Precautionary statements
P410+P403

Chemistry & industry

Pharmacology

Absorption, Distribution and Excretion · 1 item

Three gases, perfluoromethane, perfluoroethane, and perfluoropropane (CF4, C2F6, and C3 F8, respectively) were studied for their possible value as intravitreal tamponades in retinal surgery. The gases expand and have intraocular longevities that increase with the length of the carbon chain. A 0.4-cc injection of CF4, remained in the eye six days, twice as long as an equivalent amount of air; C2F6 remained 16 days, more than four times as long as air; and C3F8 remained 28 days, nine times as long as air and four times as long as sulfur hexafluoride.

Uses & manufacturing

Uses · 6 items

Used as dielectric, coolant, aerosol propellant, and refrigerant; [Hawley]

Gaseous perfluorocarbons (PFC 14, PFC 116, PFC 218) are used in plasma etching processes in the microelectronic industry and as gaseous dielectrics.

Dielectric and coolant, aerosol propellant, refrigerant.

... used for plasma, ion-beam, or sputter etching of semiconductor devices.

Used in wafer etching and for cleaning chemical vapor deposition in the manufacturing of semiconductor chips

For more Uses (Complete) data for Perfluoroethane (6 total), please visit the HSDB record page.

U.S. Production · 4 items

2023: 100,000 - <250,000 lb

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7609]

Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Ethane, 1,1,1,2,2,2-hexafluoro-. Aggregated National Production Volume: 1 to < 10 million pounds.

Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Ethane, 1,1,1,2,2,2-hexafluoro-. National Production Volume: Withheld.

Consumer UsesSemiconductor and photovoltaic agent
Industry UsesRefrigerants
Methods of ManufacturingHexafluoroethane (PFC 116) is often obtained as a byproduct in the production of CFC 115.
Formulations/PreparationsGrade: 99.6% pure.

Suppliers50 total

安徽旺山旺水特种气体有限公司15906197626 · [email protected]
江西核研院新材料有限公司18901398682 18901398682 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
济南氟泽新材料有限公司00-15169181 15169181281 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

Related reactions

0 records

No reaction records under the current filter.

Compound notes

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