기본 정보
- CAS
138495-42-8- 표준 SMILES
FC(C(F)C(F)(F)C(F)(F)F)C(F)(F)F- InChIKey
RIQRGMUSBYGDBL-UHFFFAOYSA-N- 분자식
- C5H2F10
- 평균 분자량
- 252.05 g/mol
- 단동위원소 질량
- 251.99968226
개요
used in the formation of oxygen-carrying nanodroplets; structure in first source
이름 및 식별자
- 우선 이름
- 1,1,1,2,2,3,4,5,5,5-Decafluoropentane
- IUPAC
- 1,1,1,2,2,3,4,5,5,5-decafluoropentane
- 현지명
- 1,1,1,2,2,3,4,5,5,5-데카플루오로펜테인
- 영어명
- 2H,3H-Decafluoropentane
- 분자식
- C5H2F10
- 분자량
- 252.05
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
138495-42-8- PubChem CID
- 86240
- DTXSID
DTXSID30869884- UNII
- MC53096Z2M
- EC Number
- 604-080-3
- Nikkaji
- J582.887B
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 211
실험 및 물리화학적 성질
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> Other/unspecified
PFAS -> Other Nonpolymers
PFAS -> PFAS with analytical method available
Density
Liquid density: 1.58 kg/L (13.2 lb/gal)
1.58 @25 °C
Color/Form
Clear, colorless liquid
Nonflammable liquid
Colorless liquid
Boiling Point
55 °C
55 °C @760 [mm Hg]
Vapor Pressure
0.297 atm (225.72 mm Hg) at 25 °C
226 [mm Hg] @25 °C
물리화학적 성질
- 녹는점
- -80 °C · -80 °C
- 끓는 점
- 55 °C · 55 °C(lit.)
- 밀도
- 1.6 g/mL · 1.60 g/mL at 20 °C(lit.)
- 증기압
- 24.8 kPa · 24.8kPa at 20℃
- 굴절률
- 20 · n20/D 1.3
- 인화점
- 125 °C · >125 °C
- 물리적 상태
- 투명한 액체
- Specific Gravity
- 1.58 · 1.580
- 색상
- 무색 내지 거의 무색
- 수용성
- 물에 용해됩니다(25°C에서 140mg/L).
- BRN
- 6324333 · 6324333
- Henry's Law Constant
- 4.4 · 4.4×10-8 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 화장품 원료 기능
- 용제
- InChIKey
- RIQRGMUSBYGDBL-UHFFFAOYSA-N
- LogP
- 2.7 at · 2.7 at 20℃
- EPA
- -4310 mee · HFC-4310mee (138495-42-8)
화학적 성질
Clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (34.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 104 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]
P273, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
1,1,1,2,2,3,4,5,5,5-decafluoropentane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Causes tremors and convulsions in inhalation lethal-concentration studies of rats; Causes weight loss in oral lethal-dose studies of rats; Causes changes in motor activity in 13-week intermittent inhalation studies of rats [RTECS] May cause irritation; [Alfa Aesar MSDS] See Perfluoro compounds, C5-18.
안전 및 보호
Fire Fighting Procedures
Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary. /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
Cleanup Methods
ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Avoid breathing vapors, mist or gas. Ensure adequate ventilation; Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided; Methods and materials for containment and cleaning up: Keep in suitable, closed containers for disposal. /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
Disposal Methods
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. /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
Preventive Measures
Precautions for safe handling: Normal measures for preventive fire protection. /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
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. /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
Protective Action Criteria (PAC)
700 [ppm]
7700 [ppm]
46000 [ppm]
Personal Protective Equipment (PPE)
Eye/face protection: Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
Skin protection: Handle with gloves. /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
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. /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
Respiratory protection: Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK (EU EN 14387) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
Other Standards Regulations and Guidelines
Global Warming Potential (GWP): Chemical: HFC-43-10mee; GWP: 1,640 (100-Year Time Horizon)
The point of departure (POD) for the derivation of the 8-hour time-weighted average (TWA) Workplace Environmental Exposure Limit (WEEL) for HFC43-10mee was identified as 1500 ppm. No toxicity was noted at this concentration, e.g,, in animal studies that evaluated neurotoxicity. This POD was adjusted to account for daily exposure duration, study exposure duration, inter-species variability, intra-individual variability and the nature of the observed responses. The resulting 8-hour TWA WEEL value of 225 ppm (2320 mg/m3) is expected to provide a significant margin of safety against the production of any potential adverse health effects in workers following long-term inhalation exposure to HFC-43-10mee vapor.The 15-minute Short-Term Exposure Limit (STEL) is 700 ppm (7217 mg/m3). 700 ppm provides an approximate two-fold margin of safety compared with the threshold concentration (2000 ppm) that caused clinical signs of neurotoxicity in experimental animals. This STEL ensures protection against the occurrence of neurotoxicity following short-term, high concentration exposures in the workplace.
독성 정보
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 7800(SRC), determined from a structure estimation method(2), indicates that 2,3-dihydroperfluoropentane is expected to be immobile in soil(SRC). Volatilization of 2,3-dihydroperfluoropentane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.53 atm-cu m/mole(SRC), based upon its vapor pressure, 225.72 mm Hg(3), and water solubility, 140 mg/L(3). However, adsorption to soil is expected to attenuate volatilization(SRC). 2,3-Dihydroperfluoropentane is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Biodegradation data in soil were not available(SRC, 2016).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 7800(SRC), determined from a structure estimation method(2), indicates that 2,3-dihydroperfluoropentane 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 0.53 atm-cu m/mole(SRC), derived from its vapor pressure, 225.72 mm Hg(4), and water solubility, 140 mg/L(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 4.6 hours and 6.3 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 62 days if adsorption is considered(5). 2,3-Dihydroperfluoropentane 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(6), an estimated BCF of 160(SRC), from an estimated log Kow of 3.84(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is high(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), 2,3-dihydroperfluoropentane, which has a vapor pressure of 225.7 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase 2,3-dihydroperfluoropentane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 13-15 years(SRC), calculated from rate constants of 3.01X10-15 to 3.4X10-15 cu cm/molecule-sec(3,4). 2,3-Dihydroperfluoropentane has an estimated 100-year Global Warming Potential of 1500(5) and an atmospheric life-time of 15-23 years(3,5). 2,3-Dihydroperfluoropentane 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).
Toxicity Summary
IDENTIFICATION AND USE: 2H,3H-decafluoropentane is a clear, colorless liquid. It is a new fluorocarbon alternative with no known ozone-depleting potential, designed for use in cleaning circuit boards. HUMAN EXPOSURE AND TOXICITY: There are no data available. ANIMAL STUDIES: The subchronic toxicity, neurotoxicity, and teratogenicity were evaluated by exposing male and female rats to 0, 500, 2,000 or 3,500 ppm /by inhalation/ for 6 hr/d, 5d/wk for 13 weeks (or gestation days 7-16). Parameters evaluated included body weight, food consumption, functional observational battery, motor activity, clinical pathology, standard pathology, and neuropathology. Additional short-term exposures were conducted at 1,000, 1,500, 2,500, and 3,000 ppm to better define NOEL for convulsive effects. Convulsions occurred during exposure at 3,500 ppm and to a minimal extent at 2,000 ppm. Convulsions did not occur at 1,000 ppm or below. Motor activity was reduced at 3,500 ppm. Effects on serum albumin and urinalysis parameters occurred at 3,500 ppm. No compound-related effects on body weight, food consumption, hematology parameters, pathology parameters, or neuropathology endpoints were detected. Pregnant females exposed to 2,000 or 3,500 ppm had clinical signs of toxicity and lower body weight. Fetal body weight was lower at 3,500 ppm.
HFC-43-10mee has a low acute inhalation toxicity. The four-hour LC50 in rats was approximately 11,000 ppm. HFC-43-10mee was not a skin or eye irritant, and was not a skin sensitizer. A cardiac sensitization response was not observed at 5000 ppm. Exposures resulted in clinical signs of neurotoxicity at concentrations of 2000 ppm and above that later resolved. No developmental or reproductive toxicity were evident at 2000 ppm, and no effects on offspring were observed. HFC-43-10mee was not genotoxic in vitro or in vivo.
Soil Adsorption/Mobility
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,3-dihydroperfluoropentane can be estimated to be 7800(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,3-dihydroperfluoropentane is expected to be immobile in soil.
Atmospheric Concentrations
RURAL/REMOTE: We report in situ atmospheric measurements of hydrofluorocarbon HFC-43-10mee (C5H2F10; 1,1,1,2,2,3,4,5,5,5-decafluoropentane) from seven observatories at various latitudes, together with measurements of archived air samples and recent Antarctic flask air samples. The global mean tropospheric abundance was 0.21 +/- 0.05 ppt (parts per trillion, dry air mole fraction) in 2012, rising from 0.04 +/-0.03 ppt in 2000. We combine the measurements with a model and an inverse method to estimate rising global emissions-from 0.43 +/- 0.34 Gg/yr in 2000 to 1.13 +/-0.31 Gg/yr in 2012 (approximately 1.9 Tg CO2-eq/yr based on a 100 year global warming potential of 1660). HFC-43-10mee - a cleaning solvent used in the electronics industry - is currently a minor contributor to global radiative forcing relative to total HFCs; however, our calculated emissions highlight a significant difference from the available reported figures and projected estimates(1).
Environmental Bioconcentration
An estimated BCF of 160 was calculated in fish for 2,3-dihydroperfluoropentane(SRC), using an estimated log Kow of 3.84(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(SRC), provided the compound is not metabolized by the organism(SRC).
Volatilization from Water/Soil
The Henry's Law constant for 2,3-dihydroperfluoropentane is estimated as 0.53 atm-cu m/mole(SRC) derived from its vapor pressure, 225.7 mm Hg(1), and water solubility, 140 mg/L(1). This Henry's Law constant indicates that 2,3-dihydroperfluoropentane 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)(2) is estimated as 4.6 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 6.3 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 62 days if adsorption is considered(3). 2,3-Dihydroperfluoropentane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC).
Non-Human Toxicity Excerpts
/OTHER TOXICITY INFORMATION/ 43-10mee is a new fluorocarbon alternative with no known ozone-depleting potential, designed for use in cleaning circuit boards. The subchronic toxicity, neurotoxicity, and teratogenicity of 43-10mee were evaluated by exposing male and female Crl:CDNBR rats to 0, 500, 2,000 or 3,500 ppm 43-10mee /by inhalarion/ for 6 hr/d, 5d/wk for 13 weeks (or gestation days 7-16). Parameters evaluated included body weight, food consumption, functional observational battery, motor activity, clinical pathology, standard pathology, and neuropathology. Additional short-term exposures were conducted at 1,000, 1,500, 2,500, and 3,000 ppm to better define NOEL for convulsive effects. Convulsions occurred during exposure at 3,500 ppm and to a minimal extent at 2,000 ppm. Convulsions did not occur at 1,000 ppm or below. Motor activity was reduced at 3,500 ppm. Effects on serum albumin and urinalysis parameters occurred at 3,500 ppm. No compound-related effects on body weight, food consumption, hematology parameters, pathology parameters, or neuropathology endpoints were detected. Pregnant females exposed to 2,000 or 3,500 ppm had clinical signs of toxicity and lower body weight. Fetal body weight was lower at 3,500 ppm.
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of 2,3-dihydroperfluoropentane with photochemically-produced hydroxyl radicals has been reported as 3.01X10-15 to 3.4X10-15 cu cm/molecule-sec(1,2). This corresponds to an atmospheric half-life of about 13-15 years at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(3). 2,3-Dihydroperfluoropentane has an estimated 100-year Global Warming Potential of 1500(4) and an atmospheric life-time of 15-23 years(1,4). 2,3-Dihydroperfluoropentane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(5). 2,3-Dihydroperfluoropentane 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).
Probable Routes of Human Exposure
According to the 2012 TSCA Inventory Update Reporting data, one reporting facility uses 2,3-dihydroperfluoropentane in the United States; the number of workers potentially exposed is unknown due to confidential business information (CBI)(1).
Occupational exposure to 2,3-dihydroperfluoropentane may occur through inhalation and dermal contact with this compound at workplaces where 2,3-dihydroperfluoropentane is produced or used. (SRC)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- RZ9885000
- HS 번호
- 29033990
- risk_code
- 36/37/38-52/53
- hazard_code
- Xi
- safety_code
- 26-37/39-61-24/25
- 기존화학 물질
- 97-3-544
- 위험 참고 사항
- Irritant
- 유해 물질 데이터
- 138495-42-8(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Non-flammable liquid for specialty solvent utility
43-10mee is a new fluorocarbon alternative with no known ozone-depleting potential, designed for use in cleaning circuit boards.
Vapor degreasing equipment for cleaning, rinsing and drying
Solvent for specialized applications.
non-polymer PFAS -> Electronic Industry -> Heat transfer fluids (cooling of electrical equipment)
• Cleaning submicron particulate and ionic soils that adhere to the material [Ref: https://www.chemours.com/Vertrel/en_US/products/xf.html]
U.S. Production
2023: 1,000,000 - <5,000,000 lb
Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-. National Production Volume: Withheld.
Methods of Manufacturing
The preparation of HFC-43-10-mee, 1,1,1,2,3,4,4,5,5,5-decafluoropentane, is a two-step process. The first step is the addition of tetrafluoroethylene to hexafluoropropylene, catalyzed with fluorinated AlCl3. The product obtained, decafluoro-2-pentene, is then hydrogenated to form HFC-43-10-mee using a Pd/C catalyst.
General Manufacturing Information
Miscellaneous Manufacturing
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-: ACTIVE
응용 분야
용도Used as a zero ozone-depletion alternative to hydro chlorofluorocarbons.
관련 반응
화합물 노트
불러오는 중…