CAS 624-89-5 Ethyl methyl sulfide (HCID 12230)

Names & identifiers

Preferred name: Ethyl methyl sulfide
IUPAC: methylsulfanylethane
English name: Methylthioethane
Molecular formula: C3H8S
Molecular weight: 76.16

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 4
Formal charge: 0
Complexity: 7

Experimental & physicochemical properties

LogP1.54

Density0.842-0.847

Solubility · 2 items

insoluble in water; soluble in alcohols and oils

(in ethanol)

Boiling Point · 2 items

65.00 to 67.00 °C. @ 760.00 mm Hg

65-67 °C

Melting Point-104.8 °C

Refractive Index1.389-1.399

Physicochemical properties

Melting point: -106 °C · -106 °C (lit.)
Boiling point: 66 · 66-67 °C (lit.)
Density: 0.842 g/mL · 0.842 g/mL at 25 °C (lit.)
vapor pressure: 272 mm · 272 mm Hg ( 37.7 °C)
refractive index: 20 · n20/D 1.440(lit.)
FEMA: 3860 · 3860 | METHYL ETHYL SULFIDE
FLAVIS Number: 12.154 · 12.154 | Methyl ethyl sulfide
Flash point: 5 °F · 5 °F
storage temp.: Flammables area
form: liquid
Specific Gravity: 0.842 · 0.842
color: Colorless to Light yellow
Odor: 0.1 % · at 0.10 % in propylene glycol. sulfury garlic tomato coffee pyridene cabbage vegetable meaty
Odor Type: sulfurous
Odor Threshold: 0.00023 ppm · 0.00023ppm
Water Solubility: Miscible with alcohols and oils. Immiscible with water.
Specific Heat Capacity: 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 DataBase Reference: 624 · 624-89-5(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): METHYL ETHYL SULFIDE
FDA UNII: 1 GZS62TM · MR1GZS62TM
NIST Chemistry Reference: Ethane, (methylthio)-(624-89-5)
EPA Substance Registry System: Ethyl methyl sulfide (624-89-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 210 · P210-P233-P303+P361+P353-P370+P378-P403+P235-P501
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F
Risk Statements: 11 · 11
Safety Statements: 16 · 16-23-24/25
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
F: 13 · 13
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29309090 · 29309090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 · Flam. Liq. 2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 4 items

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%)

Regulatory information

Regulatory Information · 4 items

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

Safety data

F: 13
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29309090
risk_code: 11
Signal word: Danger
Symbol(GHS): GHS02
hazard_code: F
safety_code: 16-23-24/25
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225
REACH Registrations: Active
Hazard Classifications: Flam. Liq. 2
Precautionary statements: P210-P233-P303+P361+P353-P370+P378-P403+P235-P501

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm；Extracellular

Uses & manufacturing

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 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 items

Utilities

Ethane, (methylthio)-: ACTIVE

Applications · 4 items

DescriptionMethylthioethane, 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

UsesEthyl 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.

General DescriptionMicrowave spectra of the trans isomer of ethyl methyl sulfide and its 10 isotopic species has been investigated. Chlorination of ethyl methyl sulfide with N-chlorosuccinimide and sulfuryl chloride has been reported.