Basic information
- CAS
3698-94-0- Standard SMILES
CCCCCCCCSCC- InChIKey
WAITXWGCJQLPGH-UHFFFAOYSA-N- Molecular formula
- C10H22S
- Average molar mass
- 174.35 g/mol
- Monoisotopic mass
- 174.14422188
Names & identifiers
- Preferred name
- Ethyl octyl sulfide
- IUPAC
- 1-ethylsulfanyloctane
- English name
- ETHYL N-OCTYL SULPHIDE
- Molecular formula
- C10H22S
- Molecular weight
- 174.35
Names & synonyms
Ethyl octyl sulfide3698-94-03-Thiaundecane1-ethylsulfanyloctaneOctane, 1-(ethylthio)-DTXSID4044662JOZ6D7U0VLSULFIDE, ETHYL OCTYLETHYL 1-OCTYL SULFIDEJ341.520ADTXCID2024662RefChem:596349
Show more names
Octylethyl sulfide1-(ethylthio)-octanethyl octyl sulphide
653-186-6ethyl n-octyl sulfide1-(ethylsulfanyl)octane1-(Ethylthio)octaneETHYL N-OCTYL SULPHIDEUNII-JOZ6D7U0VLSCHEMBL200333SCHEMBL200334
Database identifiers
- CAS
3698-94-0- PubChem CID
- 77288
- DTXSID
DTXSID4044662- ChEMBL
CHEMBL3186809- UNII
- JOZ6D7U0VL
- EC Number
- 653-186-6
- Nikkaji
- J341.520A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 61.9
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -53.83 °C · -53.83°C (estimate)
- Boiling point
- 215.37 °C · 215.37°C (estimate)
- Density
- 0.841 · 0.8410
- refractive index
- 1.4465 · 1.4465 (estimate)
- Henry's Law Constant
- 1.6 · 1.6×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- FDA UNII
- 6 D7U0VL · JOZ6D7U0VL
- EPA Substance Registry System
- 1 · Octane, 1-(ethylthio)- (3698-94-0)
- Hazard statements
- 413 · H413
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (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.
Hazard information
Regulatory Information
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 CategoriesAquatic Acute 1 (17%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H413
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesFlotation agent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Octane, 1-(ethylthio)-: ACTIVE
Suppliers13 total
MDP ChemControl Ltd.[email protected]
UK GREEN SCIENTIFIC CO.,LIMITED[email protected]
Carbone Scientific CO., LTD[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
TRIPLE[email protected]
斯堪的纳维亚公式[email protected]
PFALTZ-BAUER[email protected]
先进技术工业有限公司[email protected]
Service Chemical Inc.[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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