基本情報
- CAS
65104-67-8- 標準SMILES
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(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
UYSGWTCETIRUHO-UHFFFAOYSA-N- 分子式
- C16F33CH2CH2OH
- 平均分子量
- 864.2 g/mol
- 単同位体質量
- 863.9813441
名称と識別子
- 優先名称
- 1-Octadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluoro-
- IUPAC
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecan-1-ol
名称と別名
65104-67-81,1,2,2-Tetrahydroperfluoro-1-octadecanol16:2 Fluorotelomer alcohol1-Octadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluoro-2-(Perfluorohexadecyl)ethanolDTXSID60702213,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-TritriacontafluorooctadecanolRefChem:1113328265-439-43,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecan-1-olEINECS 265-439-4n:2 FTOHs n=8
名称をさらに表示
SCHEMBL422846916:2 FTOH1h,1h,2h,2h-perfluorooctadecan-1-olNS00010930
データベース識別子
- CAS
65104-67-8- PubChem CID
- 103202
- DTXSID
DTXSID6070221- EC Number
物性
構造計算による物性
- XLogP
- 11.1
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 34
- 回転可能結合数
- 16
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,280
実験および物理化学的性質
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> Identified in migrating and extractable food contact chemical data
PFAS (n:2 fluorotelomer alcohols, n=8)
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
S - indicates a substance that is identified in a final Significant New Use Rule.
1-Octadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluoro-: 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 CategoriesEye Irrit. 2 (100%)
化学と産業
用途と製造
Uses
non-polymer PFAS -> Paper and packaging -> Food-contact articles
• Detected in food contact materials [Ref: Trier, Xenia, Camilla Taxvig, Anna Kjerstine Rosenmai, and Gitte Alsing Pedersen. 2017. PFAS in Paper and Board for Food Contact - Options for Risk Management of Poly- and Perfluorinated Substances. Copenhagen, Denmark.]
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS (n:2 fluorotelomer alcohols, n=8)
General Manufacturing Information1-Octadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluoro-: ACTIVE
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