化工社化工社 化学情報印刷レポート · 研究参考用
HCID 49939作成日：2026年10月26日
オクタン-1-スルホン酸
1-オクタンスルホン酸 · オクタン-1-スルホン酸 · Octane-1-sulfonic acid · Octylsulfonicacid · OCTANESULFONIC ACID · octanesulphonic acid · n-Octanesulfonic acid · 1-OCTANESULPHONICACID
https://huagongshe.com/ja/chemical/49939
識別子と物理属性
| CAS No. | 3944-72-7 |
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| 分子式 | C8H18O3S |
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| 平均分子量 | 194.29 g/mol |
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| 単同位体質量 | 194.09766561 g/mol |
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| SMILES | CCCCCCCCS(=O)(=O)O |
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| InChIKey | WLGDAKIJYPIYLR-UHFFFAOYSA-N |
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| PubChem CID | 49939 |
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| ChEMBL | CHEMBL1208308 |
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| ChEBI | CHEBI:39422 |
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| EC No. | 223-535-3 |
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| DTXSID | DTXSID5041277 |
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| 現地名 | オクタン-1-スルホン酸 |
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化学・物理的性質
| XLogP | 2.5 |
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| 極性表面積 | 62.8 |
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| 水素結合供与体数 | 1 |
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| 水素結合受容体数 | 3 |
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| 回転可能結合数 | 7 |
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| 重原子数 | 12 |
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| 形式電荷 | 0 |
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| 複雑度 | 179 |
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| Physical Description | LiquidSolid[Fisher Scientific MSDS] |
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| InChI | InChI=1S/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11) |
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| InChIKey | WLGDAKIJYPIYLR-UHFFFAOYSA-N |
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| SMILES | C(S(O)(=O)=O)CCCCCCC |
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| CAS データベース | 3944-72-7(CAS DataBase Reference) |
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| EPAの化学物質情報 | 1-Octanesulfonic acid (3944-72-7) |
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安全性と法規制
| GHS 分類 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| 規制情報 | Chemical: 1-Octanesulfonic acid1-Octanesulfonic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanesulfonic acid 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.1-Octanesulphonic acid: Does not have an individual approval but may be used under an appropriate group standard |
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| 有害性の概要 | Causes burnsInhalation may be fatal due to spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema[Fisher Scientific MSDS] |
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| Hazard Classes and Categories | Skin Corr. 1B (100%)Skin Sens. 1 (100%) |
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| 有害作用 | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
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| TSCA 収載状態 | TSCA listed |
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