2H,3H-デカフルオロペンタン

1,1,1,2,2,3,4,5,5,5-Decafluoropentane

HCID 86240

基本情報

CAS
138495-42-8
標準SMILES
FC(C(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIKey
RIQRGMUSBYGDBL-UHFFFAOYSA-N
分子式
C5H2F10
平均分子量
252.05 g/mol
単同位体質量
251.99968226

概要

used in the formation of oxygen-carrying nanodroplets; structure in first source

名称と識別子

優先名称
1,1,1,2,2,3,4,5,5,5-Decafluoropentane
IUPAC
1,1,1,2,2,3,4,5,5,5-decafluoropentane
現地名
2H,3H-デカフルオロペンタン
英語名
2H,3H-Decafluoropentane
分子式
C5H2F10
分子量
252.05

名称と別名

138495-42-82H,3H-Decafluoropentane1,1,1,2,2,3,4,5,5,5-DecafluoropentaneVertrel XFPentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-HFC-4310mee43-10meeMC53096Z2MR 4310RefChem:70819604-080-32H,3H-Perfluoropentane
名称をさらに表示
2H,3H-デカフルオロペンタン1,1,1,2,3,4,4,5,5,5-デカフルオロペンタン1,1,1,2,2,3,4,5,5,5-デカフルオロペンタン1,1,1,2,3,4,4,5,5,5-デカフルオロペンタン、2H,3H-デカフルオロペンタン(HFC-43-10mee)2H,3H-ペルフルオロペンタン2H,3H-パーフルオロペンタンベルトレルHFC-43110meeDecafluoropentaner4310HFC-43102H, 3H perfluoropolentane2H,3H-Decafluoropentane98%
1,1,1,2,3,4,4,5,5,5-Decafluoropentane2,3-DihydroperfluoropentaneMFCD00798129HFC-43-10meeC5H2F102,3-dihydrodecafluoropentaneUNII-MC53096Z2MSCHEMBL19923

データベース識別子

CAS
138495-42-8
PubChem CID
86240
DTXSID
DTXSID30869884
UNII
MC53096Z2M
EC Number
604-080-3
Nikkaji
J582.887B

物性

構造計算による物性

XLogP
3.9
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
10
回転可能結合数
2
重原子数
15

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
PFAS · 6 件

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

SpringerMaterials PropertiesChemical diffusion
Density · 2 件

Liquid density: 1.58 kg/L (13.2 lb/gal)

1.58 @25 °C

Viscosity0.67 cPs
Color/Form · 3 件

Clear, colorless liquid

Nonflammable liquid

Colorless liquid

物理化学的性質

融点
-80 °C · -80 °C
沸点
55 °C · 55 °C(lit.)
比重(密度)
1.6 g/mL · 1.60 g/mL at 20 °C(lit.)
蒸気圧
24.8 kPa · 24.8kPa at 20℃
屈折率
20 · n20/D 1.3
闪点
125 °C · >125 °C

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 4 件

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 · 1 件

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.

Special ReportsDanish EPA; Survey of selected fluorinated green-house gases (2015)[Available from, as of March 3, 2016: http://eng.mst.dk/]
Toxic Combustion ProductsSpecial hazards arising from the substance or mixture: Carbon oxides, Hydrogen fluoride /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
Hazard Classes and CategoriesSkin Irrit. 2 (34.6%)
Critical Temperature and PressureCritical temperature: 181 °C; critical pressure: 2288 kPa

安全と保護具

Fire Fighting Procedures · 2 件

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/

Storage ConditionsKeep container tightly closed in a dry and well-ventilated place. /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
Cleanup Methods · 1 件

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 · 2 件

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 · 3 件

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) · 3 件

700 [ppm]

7700 [ppm]

46000 [ppm]

毒性情報

Environmental Fate · 3 件

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).

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity Summary · 2 件

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 · 1 件

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 · 1 件

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).

Artificial Pollution Sources2,3-Dihydroperfluoropentane's production and use as a precision cleaning solvent for electronics(1) may result in its release to the environment through various waste streams(SRC).

安全データ

wgk
1
tsca
TSCA listed
rtecs
RZ9885000
hs_code
29033990
risk_code
36/37/38-52/53
化審法
(2)-3859

化学と産業

用途と製造

Uses · 6 件

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 · 2 件

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.

Industry UsesSolvent
Methods of Manufacturing · 1 件

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.

Household ProductsInformation on 5 consumer products that contain Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro- in the following categories is provided:
General Manufacturing Information · 2 件

Miscellaneous Manufacturing

Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-: ACTIVE

応用分野

使用Used as a zero ozone-depletion alternative to hydro chlorofluorocarbons.

関連反応

2 件

化合物ノート

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