Ethyl methyl sulfide (HCID 12230)

名称と識別子

優先名称: Ethyl methyl sulfide
IUPAC: methylsulfanylethane
現地名: エチルメチルスルフィド
英語名: Methylthioethane
分子式: C3H8S
分子量: 76.16

名称と別名

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

名称をさらに表示

エチルメチルスルフィド2-(メチルチオ)エタン2-チアブタンメチルチオエタン(エチルチオ)メタン1-(メチルチオ)エタンメチル(エチル)スルフィドエチル(メチル)スルフィドメチルエチルスルフィドエチル=メチル=スルフィドエチルメチルスルフィド, 2000 µg/mL in Tolueneethyl(Methyl)sulfaneFEMA 3860C2H5SCH3METHYLTHIOETHANE(methylthio)-ethan2-(Methylthio)ethane

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.5
極性表面積: 25.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 4
形式電荷: 0
複雑度: 7

実験および物理化学的性質

LogP1.54

Density0.842-0.847

Solubility · 2 件

insoluble in water; soluble in alcohols and oils

(in ethanol)

Boiling Point · 2 件

65.00 to 67.00 °C. @ 760.00 mm Hg

65-67 °C

Melting Point-104.8 °C

Refractive Index1.389-1.399

物理化学的性質

融点: -106 °C · -106 °C (lit.)
沸点: 66 · 66-67 °C (lit.)
比重(密度): 0.842 g/mL · 0.842 g/mL at 25 °C (lit.)
蒸気圧: 272 mm · 272 mm Hg ( 37.7 °C)
屈折率: 20 · n20/D 1.440(lit.)
FEMA: 3860 · 3860 | METHYL ETHYL SULFIDE
闪点: 5 °F · 5 °F
貯蔵温度: Flammables area
外見: 液体
比重: 0.842 · 0.842
色: Colorless to Light yellow
臭い (Odor): 0.1 %。硫黄ニンニク · プロピレングリコール中0.10%。硫黄ニンニクトマトコーヒーピリデンキャベツ野菜肉たっぷり
においのタイプ: 硫黄の
臭気閾値(Odor Threshold): 0.00023 ppm · 0.00023ppm
水溶解度: アルコールや油と混和します。水と混和しない。
比熱容量: 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 データベース: 624 · 624-89-5(CAS DataBase Reference)
NISTの化学物質情報: Ethane, (methylthio)-(624-89-5)
EPAの化学物質情報: Ethyl methyl sulfide (624-89-5)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

法規制情報

Regulatory Information · 4 件

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

安全データ

F: 13
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29309090
risk_code: 11
消防法: 危-4-1-II
hazard_code: F
safety_code: 16-23-24/25
hazard_class: 3
packing_group: II
Hazard Classifications: Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular

用途と製造

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 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 件

Utilities

Ethane, (methylthio)-: ACTIVE

応用分野 · 5 件

用途有機合成原料、香料材料、付臭剤研究用。

説明Methylthioethane, 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.

天然物の起源Reported found in tomato, cooked chicken, beef and pork, rum, bourbon, whiskey, cocoa and coffee

使用Ethyl 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.

一般的な説明Microwave 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.