基本情報
- CAS
754-96-1- 標準SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO- InChIKey
NSKCTPBWPZPFHW-UHFFFAOYSA-N- 分子式
- HOCH2C8F16CH2OH
- 平均分子量
- 462.13 g/mol
- 単同位体質量
- 462.01123
概要
commercially available compound
名称と識別子
- 優先名称
- 1H,1H,10H,10H-perfluorodecane-1,10-diol
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol
- 現地名
- 1H,1H,10H,10H-ヘキサデカフルオロ-1,10-デカンジオール
- 英語名
- 1H,1H,10H,10H-PERFLUORO-1,10-DECANEDIOL
- 分子式
- C10H6F16O2
- 分子量
- 462.13
名称と別名
1H,1H,10H,10H-Perfluorodecane-1,10-diolDTXSID50369896FC10diolRefChem:440595DTXCID00320932754-96-11H,1H,10H,10H-Perfluoro-1,10-decanediol2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediolMFCD001922001H,1H,10H,10H-Hexadecafluoro-1,10-decanediolC10H6F16O2
名称をさらに表示
1H,1H,10H,10H-ヘキサデカフルオロ-1,10-デカンジオール2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-ヘキサデカフルオロ-1,10-デカンジオール1:8:1 FTDIOHhexadecafluoro-1,10-decanediol1,8-Dimethylol perfluorooctane1H,1H,10H,10H-Perfluoro-1,10-decanediol96%1H,1H,10H,10H-Perfluoro-1,10-decanediol 96%1H,1H,10H,10H-Perfluorodecane-1,10-diol 96%1H,1H,10H,10H-Perfluorodecane-1,10-diol ,96%
SCHEMBL915120AKOS015902435H1233D910182,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1,10-decandiolFT-06077981,10-Decanediol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-FS-4262
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 40.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 18
- 回転可能結合数
- 9
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 518
実験および物理化学的性質
PFAS
PFAS -> non-polymer
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other Nonpolymers
PFAS -> F-telomer alcohols (FTOH)
物理化学的性質
- 融点
- 135 · 135-137 °C (lit.)
- 沸点
- 132 °C/4 · 132 °C/4 mmHg (lit.)
- 比重(密度)
- 1.6113 · 1.6113 (estimate)
- 闪点
- 132 °C/4mm · 132°C/4mm
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 12.59 · 12.59±0.10(Predicted)
- 色
- White to Almost white
- BRN
- 1894671 · 1894671
- InChI
- 1S/C10H6F16O2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28/h27-28H,1-2H2
- InChIKey
- NSKCTPBWPZPFHW-UHFFFAOYSA-N
- SMILES
- OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
- CAS データベース
- 754 · 754-96-1(CAS DataBase Reference)
- EPAの化学物質情報
- 1 H,1H,10H,10H-Perfluorodecane-1,10-diol · 1H,1H,10H,10H-Perfluorodecane-1,10-diol (754-96-1)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302+H332 (33.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
安全データ
- wgk
- 3
- hs_code
- 29055900
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 37/39-26-24/25
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Carc. 2Lact.Repr. 1BSTOT RE 1
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
Uses
non-polymer PFAS -> Optical Devices -> Resin composition for optical materials (e.g. optical fibers)
• Resin composition for optical fibers [Ref: CAS2019 (JP2002212261)]
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> F-telomer alcohols (FTOH)
応用分野
使用2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol may be used in the preparation of diverse bromo(ester) (macro)initiators, required for the preparation of fluorinated pentablock as well as amphiphilic triblock copolymers with a central polyether segment.
一般的な説明2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol (1H,1H,10H,10H-Perfluorodecane-1,10-diol) is a highly fluorinated decanediol. The molecular orientation and multilayer formation of 1H,1H,10H,10H-perfluorodecane-1,10-diol (FC10diol) at the hexane/water interface has been investigated. The interfacial tension of the hexane solution of 1H,1H,10H,10H-perfluorodecane-1,10-diol (FC10diol) against water has been measured. Its freezing point and density have been determined.
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