Grundinformationen
- Standard-SMILES
CCSSCC- InChIKey
CETBSQOFQKLHHZ-UHFFFAOYSA-N- Summenformel
- C4H10S2
- Durchschnittliche Molmasse
- 122,3 g/mol
- Monoisotopische Masse
- 122,02239232
Überblick
Diethyl disulfide is an organic disulfide.
Namen und Bezeichner
- Bevorzugter Name
- Diethyl disulfide
- IUPAC
- (ethyldisulfanyl)ethane
- Lokaler Name
- Diethyldisulfid
- Englischer Name
- Diethyl disulfide
- Summenformel
- C4H10S2
- Molmasse
- 122.25
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
110-81-6- PubChem CID
- 8077
- DTXSID
DTXSID3051464- ChEBI
CHEBI:179050- UNII
- X2SFL51MH0
- EC Number
- 203-805-7
- Nikkaji
- J5.101B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 50,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 17,5
Experimentelle und physikochemische Eigenschaften
Solubility
0.3 mg/mL at 25 °C
Practically insoluble to insoluble in water
Soluble (in ethanol)
Boiling Point
152.00 °C. @ 760.00 mm Hg
151-152 °C
Physical Description
Light yellow liquid with a stench; [Sigma-Aldrich MSDS]
Liquid
Colourless to yellowish liquid; Onion/cabbage odour
Physikochemische Eigenschaften
- Schmelzpunkt
- 95 · 95-98.5 °C(lit.)
- Siedepunkt
- 151 · 151-153 °C (lit.)
- Dichte
- 0.993 g/mL · 0.993 g/mL at 25 °C (lit.)
- Dampfdichte
- 5.9 · 5.9 (vs air)
- Dampfdruck
- 5.7 hPa · 5.7 hPa (25 °C)
- FEMA
- 4093 · 4093 | DIETHYL DISULFIDE
- Brechungsindex
- 20 · n20/D 1.506(lit.)
- Flammpunkt
- 104 °F · 104 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2 O: · H2O: passes test
- Aggregatzustand
- liquid
- Farbe
- Colorless to Light yellow to Light orange
- Geruch (Odor)
- 0.1 % · at 0.10 % in triacetin. gassy ripe onion greasy garlic
- Geruchsart
- alliaceous
- Odor Threshold
- 0.002 ppm · 0.002ppm
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- Soluble in water.
- Spezifische Wärmekapazität
- 1.67 J/ · Cp(liquid): 1.67 J/(g·K), at 25℃
- JECFA Number
- 1699 · 1699
- BRN
- 1098273 · 1098273
- Henry's Law Constant
- 3.7 · 3.7×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- Dielectric constant
- 18.9 · 18.9(19℃)
- Major Application
- flavors and fragrances
- InChI
- 1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3
- InChIKey
- CETBSQOFQKLHHZ-UHFFFAOYSA-N
- SMILES
- CCSSCC
- LogP
- 2.86 · 2.86
- CAS Datenbank
- 110 · 110-81-6(CAS DataBase Reference)
- NIST chemische Informationen
- Disulfide, diethyl(110-81-6)
- EPA chemische Informationen
- Diethyl disulfide (110-81-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 164 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: Disulfide, diethyl
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20037
Ethyl disulphide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and moderate eye irritant; Causes changes in brain weight and weight loss in 10-day intermittent inhalation studies of rats; [RTECS] Safe when used as a flavoring agent in food; [EFSA] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Dimethyl disulfide.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquids - Category 3
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2930 90 98
- RTECS-Nr.
- JO1925000
- risk_code
- 22-38-41-36/37/38-10
- Toxizität
- LD50 orally in Rabbit: 2030 mg/kg
- hazard_code
- Xn,Xi
- safety_code
- 26-39-37/39-16-36
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Anwendungen
VerwendenDiethyl sulfide is used as a solvent for anhydrous minerals and in plating baths for gold and silver
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