Ethyl octyl sulfide

Octylethyl sulfide · 1-(ethylthio)-octan · Ethyl octyl sulfide · ethyl octyl sulphide · ETHYL N-OCTYL SULFIDE · 1-ethylsulfanyloctane · Octane, 1-(ethylthio)- · ETHYL N-OCTYL SULPHIDE

https://huagongshe.com/de/chemical/77288

Identifikatoren & physikalische Daten

CAS No.	3698-94-0
Summenformel	C10H22S
Durchschnittliche Molmasse	174,35 g/mol
Monoisotopische Masse	174,14422188 g/mol
SMILES	CCCCCCCCSCC
InChIKey	WAITXWGCJQLPGH-UHFFFAOYSA-N
PubChem CID	77288
ChEMBL	CHEMBL3186809
EC No.	653-186-6
DTXSID	DTXSID4044662

Chemische & physikalische Eigenschaften

XLogP	4,7
Polarare Oberfläche (TPSA)	25,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	8
Schwere Atome	11
Formalladung	0
Komplexität	61,9
Physical Description	Liquid
Schmelzpunkt	-53.83°C (estimate)
Siedepunkt	215.37°C (estimate)
Dichte	0.8410
Brechungsindex	1.4465 (estimate)
Henry-Konstante	1.6×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
EPA chemische Informationen	Octane, 1-(ethylthio)- (3698-94-0)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH400 (17%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Octane, 1-(ethylthio)-Octane, 1-(ethylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1-(ethylthio)- 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.
Hazard Classes and Categories	Aquatic Acute 1 (17%)
TSCA-Inventar-Status	TSCA listed

HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 77288Erstellt: 1. November 2026