Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 49939생성일: 2026년 10월 26일
1-옥탄설폰산
1-옥탄설폰산 · Octane-1-sulfonic acid · Octylsulfonicacid · OCTANESULFONIC ACID · octanesulphonic acid · n-Octanesulfonic acid · 1-OCTANESULPHONICACID · 1-Octane sulfonic acid
https://huagongshe.com/ko/chemical/49939
식별자 및 물리적 특성
| CAS No. | 3944-72-7 |
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| 분자식 | C8H18O3S |
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| 평균 분자량 | 194.29 g/mol |
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| 단동위원소 질량 | 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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| 현지명 | 1-옥탄설폰산 |
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화학 및 물리적 성질
| XLogP | 2.5 |
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| 극성 표면적 | 62.8 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 3 |
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| 회전 가능 결합 수 | 7 |
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| 무거운 원자 수 | 12 |
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| 형식 전하 | 0 |
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| 복잡도 | 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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| EPA | 1-Octanesulfonic acid (3944-72-7) |
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안전 및 규제
| GHS 분류 | 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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| 규제 정보 | 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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| 유해성 요약 | 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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| 유해 작용 | 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 등재 상태 | TSCA listed |
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