基本情報
- 標準SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
YVBBRRALBYAZBM-UHFFFAOYSA-N- 分子式
- C8F18
- 平均分子量
- 438.06 g/mol
- 単同位体質量
- 437.97125796
概要
Perfluorooctane is a fluoroalkane and a fluorocarbon. It derives from a hydride of an octane.
名称と識別子
- 優先名称
- Perfluorooctane
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
- 現地名
- オクタデカフルオロオクタン
- 英語名
- Perfluorooctane
- 分子式
- C8F18
- 分子量
- 438.06
名称と別名
名称をさらに表示
データベース識別子
- CAS
307-34-6- PubChem CID
- 9387
- DTXSID
DTXSID0059794- ChEBI
CHEBI:38826- UNII
- 6P60ZBK0QL
- EC Number
- 206-199-2
- Nikkaji
- J95.347D
物性
構造計算による物性
- XLogP
- 6.5
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 18
- 回転可能結合数
- 5
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 468
実験および物理化学的性質
PFAS
PFAS -> non-polymer
PFAS -> Other Nonpolymers
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other/unspecified
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
PFAS -> OECD Category
物理化学的性質
- 融点
- 25 °C · −25 °C(lit.)
- 沸点
- 103 · 103-106 °C(lit.)
- 比重(密度)
- 1.766 g/mL · 1.766 g/mL at 25 °C(lit.)
- 蒸気圧
- 30 hPa · 30hPa at 25℃
- 屈折率
- 20 · n20/D 1.3(lit.)
- 闪点
- 99 · 99-100°C
- 貯蔵温度
- 2 · 2-8°C, sealed storage, away from moisture
- 外見
- liquid
- 比重
- 1.73 · 1.73
- 色
- Clear, colourless
- 水溶解度
- 混和しないか、水に混ざりにくい。
- BRN
- 1717142 · 1717142
- Henry's Law Constant
- 8 · 8.0×10-10 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 1.81 · 1.8100000000000001
- 安定性
- 安定。
- 主な用途
- PFAS検査
- InChI
- 1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
- InChIKey
- YVBBRRALBYAZBM-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
- LogP
- 666 at · 666 at 25℃
- 表面張力
- 14 mN/m · 14mN/m at 20°C
- CAS データベース
- 307 · 307-34-6(CAS DataBase Reference)
- NISTの化学物質情報
- n-Perfluorooctane(307-34-6)
- EPAの化学物質情報
- Octane, octadecafluoro- (307-34-6)
化学的性質
化学的特性colourless liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 3.8% (1 of 26) of reports.
Warning
H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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 26 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
危険有害性情報
Regulatory Information
Chemical: Octane, octadecafluoro-
REACH registered substance: Perfluorooctane (EC: 206-199-2)
Octane, octadecafluoro-: 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.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RG9701000
- 毒性
- LD50 ivn-mus: 240 mg/kg MIVRA6 8,320,74
- hs_code
- 29033990
- risk_code
- 36/37/38
- 化審法
- (2)-2366 監視化学物質
- hazard_code
- F,Xi
- safety_code
- 23-24/25-37/39-36-26
- hazard_class
- IRRITANT
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
Uses
non-polymer PFAS -> Tracing and tagging -> Tracing and tagging applications
• Intraoperative tools during vitreoretinal surgery for trauma-induced retinal detachment [Ref: https://doi.org/10.1007/978-1-4899-1202-2]
応用分野
説明Perfluorooctane is a fluorocarbon liquid, usually in the form of Perfluorooctane Sulfonate (PFOS). Perfluorooctane is not easily soluble in water, with a solubility of 10 ppm in water, while PFOS is soluble in water, with solubilities reported to be 570 mg/L and 519 mg/L (at 20°C) in pure water and 370 mg/L in fresh water; solubility decreases as the salt content of the water increases. Perfluorooctane and its derivatives are used in retinal detachment surgery and proliferative vitreoretinopathy preparations.
使用Perfluorooctane (CAS# 307-34-6) can be used as a moisture-proof and wear-resistant coating compound. It can also be used to surface coat structure of surgical prosthesis.
一般的な説明Perfluorooctane is a polyfluoroalkyl substance. Perfluorohexanoic acid (PFHxA), a 6-carbon perfluoroalkyl is an alternate of perfluorooctane. Phase behavior of semifluorinated n-alkanes in perfluorooctane has been studied.
上流・下流製品情報
上流原料
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