Grundinformationen
- Standard-SMILES
CCCCCCCCSCCCCCCCC- InChIKey
LOXRGHGHQYWXJK-UHFFFAOYSA-N- Summenformel
- C16H34S
- Durchschnittliche Molmasse
- 258,5 g/mol
- Monoisotopische Masse
- 258,23812226
Namen und Bezeichner
- Bevorzugter Name
- Dioctyl sulfide
- IUPAC
- 1-octylsulfanyloctane
- Lokaler Name
- Dioctylsulfid
- Englischer Name
- DI-N-OCTYL SULFIDE
- Summenformel
- C16H34S
- Molmasse
- 258.51
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2690-08-6- PubChem CID
- 75901
- DTXSID
DTXSID1062594- ChEMBL
CHEMBL2398216- UNII
- KWB0X6Z9EG
- EC Number
- 220-259-5
- Nikkaji
- J97.166I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,7
- Polarare Oberfläche (TPSA)
- 25,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 109
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1885;1875;1892;1838;1866.9;1885
2048
Physikochemische Eigenschaften
- Schmelzpunkt
- -1 °C · -1°C
- Siedepunkt
- 180 °C10 · 180 °C10 mm Hg(lit.)
- Dichte
- 0.842 g/mL · 0.842 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.462(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- Wichte
- 0.85 · 0.85
- Wasserlöslichkeit
- 0.004678 mg/L · Solubility in water, 0.004678 mg/L @ 25°C (est)
- BRN
- 1701624 · 1701624
- InChI
- 1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
- InChIKey
- LOXRGHGHQYWXJK-UHFFFAOYSA-N
- SMILES
- CCCCCCCCSCCCCCCCC
- LogP
- 8.11 · 8.110 (est)
- CAS Datenbank
- 2690 · 2690-08-6(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · Octane, 1,1'-thiobis- (2690-08-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 3.7% (2 of 54) of reports.
Danger
H318 (72.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (24.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H412 (14.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264+P265, P273, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 54 reports by companies.;There are 4 notifications provided by 52 of 54 reports by companies with hazard statement code(s).;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
Hazards Summary
May cause irritation or injury to skin (pain, swelling, and blistering) and eyes (impaired vision), depending on severity of exposure and speed of treatment; Harmful by ingestion (may cause lung damage by aspiration); [Chevron Phillips MSDS] See Diethyl sulfide.
Toxikologische Informationen
Regulatorische Informationen
Sicherheitsdaten
- F
- 13
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2930.90.9250
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Dam. 1
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a mineral collector; [Chevron Phillips MSDS]
Mining [Category: Industry]
Anwendungen
VerwendenIt is employed as a pharmaceutical intermediate.
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