Ethyl methyl sulfide (HCID 12230)

이름 및 식별자

우선 이름: Ethyl methyl sulfide
IUPAC: methylsulfanylethane
현지명: 에틸 메틸 설파이드
영어명: Methylthioethane
분자식: C3H8S
분자량: 76.16

이름 및 동의어

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

이름 더 보기

에틸메틸설파이드황화에틸메틸황화에틸메틸에틸 메틸 설파이드ethyl(Methyl)sulfaneFEMA 3860C2H5SCH3METHYLTHIOETHANE(methylthio)-ethan2-(Methylthio)ethane

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 25.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 4
형식 전하: 0
복잡도: 7

실험 및 물리화학적 성질

LogP1.54

Density0.842-0.847

Solubility · 2건

insoluble in water; soluble in alcohols and oils

(in ethanol)

Boiling Point · 2건

65.00 to 67.00 °C. @ 760.00 mm Hg

65-67 °C

Melting Point-104.8 °C

Refractive Index1.389-1.399

물리화학적 성질

녹는점: -106 °C · -106 °C (lit.)
끓는 점: 66 · 66-67 °C (lit.)
밀도: 0.842 g/mL · 0.842 g/mL at 25 °C (lit.)
증기압: 272 mm · 272 mm Hg ( 37.7 °C)
굴절률: 20 · n20/D 1.440(lit.)
FEMA: 3860 · 3860 | METHYL ETHYL SULFIDE
인화점: 5 °F · 5 °F
저장 조건: Flammables area
물리적 상태: 액체
Specific Gravity: 0.842 · 0.842
색상: 무색~연황색
냄새: 0.1 % · 프로필렌 글리콜 중 0.10%. 유황 마늘 토마토 커피 피리덴 양배추 야채 고기 맛
냄새 유형: 유황의
Odor Threshold: 0.00023 ppm · 0.00023ppm
수용성: 알코올 및 오일과 혼합 가능합니다. 물과 섞이지 않습니다.
비열: 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
NIST: Ethane, (methylthio)-(624-89-5)
EPA: Ethyl methyl sulfide (624-89-5)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 4건

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%)

규제 정보

Regulatory Information · 4건

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
HS 번호: 29309090
risk_code: 11
hazard_code: F
safety_code: 16-23-24/25
포장분류: II
위험 등급: 3
기존화학 물질: KE-13951
F 고인화성물질: 13
Hazard Classifications: Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

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 · 6건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2건

Utilities

Ethane, (methylthio)-: ACTIVE

응용 분야 · 4건

개요Methylthioethane, 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.

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

용도Ethyl 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.

일반 설명Microwave 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.