Ethyl methyl sulfide (HCID 12230)

Namen und Bezeichner

Bevorzugter Name: Ethyl methyl sulfide
IUPAC: methylsulfanylethane
Lokaler Name: Ethylmethylsulfid
Englischer Name: Methylthioethane
Summenformel: C3H8S
Molmasse: 76.16

Namen und Synonyme

Ethyl methyl sulfide624-89-5Ethane, (methylthio)-Methyl ethyl sulfide2-THIABUTANEEthyl methyl sulphide(methylsulfanyl)ethaneSulfide, ethyl methyl(Methylthio)ethaneMethyl ethyl sulphide1-(methylthio)ethaneethyl methyl thioether

Weitere Namen anzeigen

ethyl(Methyl)sulfaneFEMA 3860C2H5SCH3METHYLTHIOETHANE(methylthio)-ethan2-(Methylthio)ethane

MR1GZS62TMEINECS 210-868-4AI3-18786DTXSID3060794FEMA NO. 3860EC 210-868-4METHYL ETHYL SULFIDE [FHFI]RefChem:596265

Datenbank-Bezeichner

CAS: 624-89-5
PubChem CID: 12230
DTXSID: DTXSID3060794
ChEBI: CHEBI:231886
UNII: MR1GZS62TM
EC Number: 210-868-4
Nikkaji: J1.682I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 25,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 4
Formalladung: 0
Komplexität: 7

Experimentelle und physikochemische Eigenschaften

LogP1.54

Density0.842-0.847

Solubility · 2 Einträge

insoluble in water; soluble in alcohols and oils

(in ethanol)

Boiling Point · 2 Einträge

65.00 to 67.00 °C. @ 760.00 mm Hg

65-67 °C

Melting Point-104.8 °C

Refractive Index1.389-1.399

Physikochemische Eigenschaften

Schmelzpunkt: -106 °C · -106 °C (lit.)
Siedepunkt: 66 · 66-67 °C (lit.)
Dichte: 0.842 g/mL · 0.842 g/mL at 25 °C (lit.)
Dampfdruck: 272 mm · 272 mm Hg ( 37.7 °C)
Brechungsindex: 20 · n20/D 1.440(lit.)
FEMA: 3860 · 3860 | METHYL ETHYL SULFIDE
Flammpunkt: 5 °F · 5 °F
storage temp.: Flammables area
Aggregatzustand: liquid
Wichte: 0.842 · 0.842
Farbe: Colorless to Light yellow
Geruch (Odor): 0.1 % · at 0.10 % in propylene glycol. sulfury garlic tomato coffee pyridene cabbage vegetable meaty
Geruchsart: sulfurous
Odor Threshold: 0.00023 ppm · 0.00023ppm
Wasserlöslichkeit: Miscible with alcohols and oils. Immiscible with water.
Spezifische Wärmekapazität: 1.9 J/ · Cp(liquid): 1.9 J/(g·K), at 25℃
JECFA Number: 453 · 453
BRN: 1696871 · 1696871
Henry's Law Constant: 4.2 · 4.2×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
InChI: 1S/C3H8S/c1-3-4-2/h3H2,1-2H3
InChIKey: WXEHBUMAEPOYKP-UHFFFAOYSA-N
SMILES: CCSC
LogP: 1.54 · 1.54
CAS Datenbank: 624 · 624-89-5(CAS DataBase Reference)
NIST chemische Informationen: Ethane, (methylthio)-(624-89-5)
EPA chemische Informationen: Ethyl methyl sulfide (624-89-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (98.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (11.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 200 reports by companies from 7 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: Ethane, (methylthio)-

Ethane, (methylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, (methylthio)- 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)

Status: Active Update: 06-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10176

Ethane, (methylthio)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (98.5%)；Skin Irrit. 2 (11.5%)

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: Ethane, (methylthio)-

Ethane, (methylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, (methylthio)- 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)

Status: Active Update: 06-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10176

Ethane, (methylthio)-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 13
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29309090
risk_code: 11
hazard_code: F
safety_code: 16-23-24/25
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 2

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <8,500,000 lb；2022: 1,000,000 - <8,500,000 lb；2021: 500,000 - <1,000,000 lb；2020: 500,000 - <1,000,000 lb

Consumer UsesIntermediate；Fragrance

Industry UsesFragrance

Use Classification · 6 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 Einträge

Utilities

Ethane, (methylthio)-: ACTIVE

Anwendungen · 3 Einträge

BeschreibungMethylthioethane, also known as Ethyl methyl sulfide (abbreviation EMS), is an ether compound with a sulphur-type odour that can be used as a food additive, odourant, and fuel. The reaction products of photolysis of EMS, in decreasing order of importance, are C2H6, CH3SSC2H5, C2H6, CH3SSC2H5, C2H5SSC2H5, CH4, CH3SCH3, C2H5SC2H5, C3H8, C2H4, CH3SSCH3, C4H10, C2H5SH, and CH3SH. In addition, the destruction efficiencies of the EMS pyrolysis and oxidation in a flow reactor were 50% and 99%, respectively. Hydroperoxides and the corresponding peroxyl radicals are important intermediates in the partial oxidation of EMS during atmospheric chemistry and combustion processes.

OccurrenceReported found in tomato, cooked chicken, beef and pork, rum, bourbon, whiskey, cocoa and coffee

VerwendenEthyl Methyl Sulfide is used as a corrosion inhibitor for zinc metal which finds wide applications like electrode material in batteries, sacrificial anodes and metallic coatings. It is used in mixtures designed to odorize natural gas and is made to by-pass injection system.