Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 49939Erstellt: 26. Oktober 2026

Octansulfonsure

Octane-1-sulfonic acid · Octylsulfonicacid · OCTANESULFONIC ACID · octanesulphonic acid · n-Octanesulfonic acid · 1-OCTANESULPHONICACID · 1-Octane sulfonic acid · 1-octanesulfonic acid solution

https://huagongshe.com/de/chemical/49939

Molekülstruktur von Octansulfonsure

Identifikatoren & physikalische Daten

CAS No.3944-72-7
SummenformelC8H18O3S
Durchschnittliche Molmasse194,29 g/mol
Monoisotopische Masse194,09766561 g/mol
SMILESCCCCCCCCS(=O)(=O)O
InChIKeyWLGDAKIJYPIYLR-UHFFFAOYSA-N
PubChem CID49939
ChEMBLCHEMBL1208308
ChEBICHEBI:39422
EC No.223-535-3
DTXSIDDTXSID5041277
Lokaler NameOctansulfonsure

Chemische & physikalische Eigenschaften

XLogP2,5
Polarare Oberfläche (TPSA)62,8
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen7
Schwere Atome12
Formalladung0
Komplexität179
Physical DescriptionLiquidSolid[Fisher Scientific MSDS]
InChIInChI=1S/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11)
InChIKeyWLGDAKIJYPIYLR-UHFFFAOYSA-N
SMILESC(S(O)(=O)=O)CCCCCCC
CAS Datenbank3944-72-7(CAS DataBase Reference)
EPA chemische Informationen1-Octanesulfonic acid (3944-72-7)

Sicherheit & Vorschriften

GHS-EinstufungDangerH314 (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.
Regulatorische InformationenChemical: 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
GefahrenübersichtCauses burnsInhalation may be fatal due to spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema[Fisher Scientific MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)Skin Sens. 1 (100%)
Unerwünschte WirkungenDermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
TSCA-Inventar-StatusTSCA listed