基本情報
- 標準SMILES
O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]- InChIKey
LVTHXRLARFLXNR-UHFFFAOYSA-M- 分子式
- C4F9KO3S
- 平均分子量
- 338.19 g/mol
- 単同位体質量
- 337.90615052
名称と識別子
- 優先名称
- Potassium perfluorobutanesulfonate
- IUPAC
- potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
名称と別名
29420-49-3potassium perfluorobutanesulfonateDTXSID30377071-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium saltpotassium perfluorobutane sulfonatepotassium nonafluorobutane-1-sulfonateDTXCID1017707RefChem:867912Potassium nonafluoro-1-butanesulfonatePotassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonatePotassium nonafluorobutanesulfonatePotassium nonaflate
名称をさらに表示
Potassium Perfluoro-1-butanesulfonateMFCD00007515potassium perfluorobutylsulfonateperfluorobutanesulfonic acid potassium saltFJ9CR7RJSJpotassium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonatePerfluorobutane sulfonic acid potassium saltNonafluoro-1-butanesulfonic acid potassium salt
データベース識別子
- CAS
29420-49-3- PubChem CID
- 23675274
- DTXSID
DTXSID3037707- ChEMBL
CHEMBL1884734- UNII
- FJ9CR7RJSJ
- EC Number
- 249-616-3
- Nikkaji
- J250.836B
物性
構造計算による物性
- 極性表面積
- 65.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 12
- 回転可能結合数
- 3
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 393
実験および物理化学的性質
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Intentionally added food contact chemicals
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> non-polymer
PFAS -> Other/unspecified
PFAS
Flame Retardants
Flame retardants -> Flame retardants for polycarbonate resins
Flame retardants -> Flame retardant for polycarbonate resins
Physical DescriptionWet Solid; CBI
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (3 of 138) of reports.
Danger
H315 (47.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 138 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt
1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1) 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)
Status: Active Update: 04-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22432
Substance: Potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate
1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Perfluorobutanesulfonate (PFBS) and its direct precursors: Human health tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (47.8%)
Eye irritation - category 2A
毒性情報
RAIS Toxicity Values
0.0003
PPRTV Current
0.001
PPRTV Current
USGS Health-Based Screening Levels for Evaluating Water-Quality
Perfluorobutane sulfonate, potassium (PFBS salt)
PFAS
2
Potassium salt of Perfluorobutane sulfonic acid (PFBS). Proposed MCL is the proposed Health-Based Water Concentration from EPA's Final Rule (https://www.regulations.gov/, in Docket No. EPA-HQ-OW-2022-0114; https://www.epa.gov/system/files/documents/2024-04/pfas-npdwr_prepubfederalregisternotice_4.8.24.pdf). EPA also set a Hazard Index MCL of 1 for mixtures of two or more of PFHxS, HFPO–DA, PFNA, and PFBS.
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
EPA Provisional Peer-Reviewed Toxicity Values
Potassium Perfluorobutane Sulfonate
3 x 10^-4 mg/kg-day
1 x 10^-3 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2021
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
1.90e+01
2.50e+02
6.00e+00
4.00e-03
3.00e-03
3.00e-04
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
5.70e+01
7.40e+02
1.80e+01
4.00e-03
3.00e-04
Volatile
化学と産業
用途と製造
Uses
non-polymer PFAS -> Flame Retardants -> Flame retardant for polycarbonate resins
• Heavy crude oil well polymer blocking remover [Ref: CAS2019 (CN106634915)]
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1): ACTIVE
関連反応
20 件
関連ノート
読み込み中…