Octansulfonsure

1-Octanesulfonic acid

HCID 49939
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Grundinformationen

CAS
3944-72-7
Standard-SMILES
CCCCCCCCS(=O)(=O)O
InChIKey
WLGDAKIJYPIYLR-UHFFFAOYSA-N
Summenformel
C8H18O3S
Durchschnittliche Molmasse
194,29 g/mol
Monoisotopische Masse
194,09766561

Namen und Bezeichner

Bevorzugter Name
1-Octanesulfonic acid
IUPAC
octane-1-sulfonic acid
Lokaler Name
Octansulfonsure
Englischer Name
1-Octane sulfonic acid
Summenformel
C8H18O3S
Molmasse
194.29

Namen und Synonyme

1-Octanesulfonic acid3944-72-7Octanesulphonic acidDU4821I15ADTXSID5041277RefChem:435177DTXCID3021277223-535-3octane-1-sulfonic acidSodium octylsulfonate1-Octane sulfonic acidNSC2738
Weitere Namen anzeigen
OctylsulfonicacidOCTANESULFONIC ACID1-OCTANESULPHONICACID1-octanesulfonic acid solution
NSC23385octane-1-sulphonic acidUNII-DU4821I15Aoctylsulfonic acidEINECS 223-535-3n-octanesulfonic acidoctane-1-sulfonicacidn-octane sulfonic acid

Datenbank-Bezeichner

CAS
3944-72-7
PubChem CID
49939
DTXSID
DTXSID5041277
ChEMBL
CHEMBL1208308
ChEBI
CHEBI:39422
UNII
DU4821I15A
EC Number
223-535-3
Nikkaji
J217.781A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,5
Polarare Oberfläche (TPSA)
62,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
7
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Physical Description · 2 Einträge

Liquid

Solid; [Fisher Scientific MSDS]

Physikochemische Eigenschaften

InChI
InChI=1S/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11)
InChIKey
WLGDAKIJYPIYLR-UHFFFAOYSA-N
SMILES
C(S(O)(=O)=O)CCCCCCC
CAS Datenbank
3944 · 3944-72-7(CAS DataBase Reference)
EPA chemische Informationen
1 · 1-Octanesulfonic acid (3944-72-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1-Octanesulfonic acid

1-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

Hazards SummaryCauses burns; Inhalation 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%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: 1-Octanesulfonic acid

1-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

Sicherheitsdaten

tsca
TSCA listed

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 150,584 lb；2022: 174,516 lb；2021: 170,737 lb；2020: 172,576 lb
Consumer UsesOxidizing agent
Industry UsesIntermediate
General Manufacturing Information · 2 Einträge

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

1-Octanesulfonic acid: ACTIVE

Anbieter29 Anbieter

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

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