基本情報
- CAS
163702-05-4- 標準SMILES
CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
DFUYAWQUODQGFF-UHFFFAOYSA-N- 分子式
- C4F9OCH2CH3
- 平均分子量
- 264.09 g/mol
- 単同位体質量
- 264.01966876
概要
used in HPLC
名称と識別子
- 優先名称
- Ethoxynonafluorobutane
- IUPAC
- 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
- 現地名
- エチル ノナフルオロブチル エーテル
- 英語名
- Ethyl nonafluorobutyl ether
- 分子式
- C6H5F9O
- 分子量
- 264.09
名称と別名
名称をさらに表示
データベース識別子
- CAS
163702-05-4、813458-04-7- PubChem CID
- 206000
- DTXSID
DTXSID0073118- UNII
- 520BW6FQ5U
- EC Number
- 639-028-9、828-053-2、922-358-5
- Nikkaji
- J862.410K
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 9.2 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
- 4
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 243
実験および物理化学的性質
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> PFAS with analytical method available
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> non-polymer
Physical Description
Liquid
Clear colorless liquid; Low odor; [OSHA]
物理化学的性質
- 融点
- -138 °C · -138 °C (lit.)
- 沸点
- 76 °C · 76 °C (lit.)
- 比重(密度)
- 1.428 g/mL · 1.428 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.282(lit.)
- 闪点
- 39 °F · 39 °F
- Henry's Law Constant
- 7.5 · 7.5×10-6 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 化粧品成分の機能
- 溶媒
- InChI
- InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
- InChIKey
- DFUYAWQUODQGFF-UHFFFAOYSA-N
- SMILES
- C(OCC)(F)(F)C(F)(F)C(F)(F)C(F)(F)F
- CAS データベース
- 163702 · 163702-05-4(CAS DataBase Reference)
- EPAの化学物質情報
- Ethyl nonafluorobutyl ether (163702-05-4)
安全と法規制
GHS分類
GHS Classification
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 31% (53 of 171) of reports.
Danger
H225 (14.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Butane, 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro- 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.
Butane, 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro-: 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.
Hazard Classes and Categories
Aquatic Chronic 4 (37.9%)
Flam. Liq. 2 (14.6%)
Skin Irrit. 2 (100%)
Aquatic Chronic 4
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- risk_code
- 11-42-36/37/38
- hazard_code
- F,Xn,Xi
- hazard_note
- Irritant
- safety_code
- 16-23-45-26
- 自然発火温度
- 707 °F
- Hazard Classifications
- Aquatic Chronic 4
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
Uses
Used for research and development; [Matrix Scientific MSDS]
• Cosmetics (mask) [Ref: GSP. 2014. Green Science Policy Database.]
non-polymer PFAS -> Semiconductor Industry -> Rinsing agents
General Manufacturing Information
Computer and Electronic Product Manufacturing
Butane, 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro-: ACTIVE
応用分野
一般的な説明Ethoxynonafluorobutane can be called as an eco-friendly solvent, which finds applications in chromatography since it has high lipophilic character as a result of which, it can be used as a substitute for hexane.
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補足説明
定義本品は、次の化学式で表される有機化合物である。
定義Ethyl nonafluorobutyl ether is a hydrofluoroether (HFEs). HFEs have the potential to be a substitute material for the commonly halocarbonated compounds used in industry in applications such as refrigeration, foaming, precision cleaning, and fire extinguishing. Experimental speed of sound for ethyl nonafluorobutyl ether is presented from 283.15 to 323.15 K at pressures upto 100 MPa[1].
関連反応
化合物ノート
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