エチレンスルフィド

Thiirane

HCID 9865CAS 420-12-2

基本情報

標準SMILES
C1CS1
InChIKey
VOVUARRWDCVURC-UHFFFAOYSA-N
分子式
C2H4S
平均分子量
60.12 g/mol
単同位体質量
60.00337113

概要

Thiirane is a saturated organic heteromonocyclic parent and an organosulfur heterocyclic compound.

名称と識別子

優先名称
Thiirane
IUPAC
thiirane
現地名
エチレンスルフィド
英語名
ETHYLENE SULFIDE
分子式
C2H4S
分子量
60.12

名称と別名

ThiiraneETHYLENE SULFIDE420-12-2ThiacyclopropaneEthylene sulphide2,3-DihydrothiireneSulfuraneThiiranEthylene episulfideEthylene episulphideAethylensulfidThiirene, 2,3-dihydro-
名称をさらに表示
エチレンスルフィドチイランジメチレンスルフィドチアシクロプロパン硫化エチレンエチレン スルフィドエチレンスルファイド硫化エチレン (STABILISED WITH BUTYL MERCAPTAN)thiraneethylene sufideDIMETHYLENE SULFIDEhiiraneTyyranenNSC 89690
DTXSID3049411A2W5165740NSC-89690DTXCID2029371CHEBI:30977RefChem:596668206-993-9Epithioethane

データベース識別子

CAS
420-12-2
PubChem CID
9865
DTXSID
DTXSID3049411
ChEMBL
CHEMBL3184935
ChEBI
CHEBI:30977
UNII
A2W5165740
EC Number
206-993-9
Nikkaji
J2.585B

物性

構造計算による物性

XLogP
0.6
極性表面積
25.3 Ų
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
0
重原子数
3

実験および物理化学的性質

Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesSchoenflies notation
Density1.0130 g/cu cm at 20 °C
Color/FormColorless liquid
SolubilitySlightly soluble in ethanol and ether; soluble in acetone and chloroform
Boiling Pointdecomposes at 57 °C

物理化学的性質

融点
207 · 207-209℃
沸点
55 · 55-56 °C (lit.)
比重(密度)
1.01 g/mL · 1.01 g/mL at 25 °C (lit.)
蒸気圧
4.15 psi · 4.15 psi ( 20 °C)
屈折率
20 · n20/D 1.495(lit.)
闪点
50 °F · 50 °F

化学的性質

化学的特性clear colourless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

危険有害性情報

Hazards SummaryA skin and eye irritant; Toxic by inhalation and ingestion; [HSDB] An eye irritant that may cause serious injury; Effects after intraperitoneal injection (LD50 in rats = 42 mg/kg) include flaccid paralysis without anesthesia; [MSDSonline]
Hazard Classes and Categories · 2 件

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

Skin, Eye, and Respiratory IrritationsEthylene sulfide is ... an eye and dermal irritant.
Hazardous Reactivities and Incompatibilities · 2 件

May polymerize violently in presence of acids, especially when warm.

Reacts with 4(4´-nitrobenzyl)pyridine.

安全と保護具

Disposal Methods · 1 件

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Preventive Measures · 1 件

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

毒性情報

InteractionsWHEN TESTED FOR ETHYLENE-LIKE ACTIVITY & ETHYLENE ANTAGONISM USING TOBACCO LEAVES, ETHYLENE SULFIDE SHOWED APPARENT ETHYLENE ACTIVITY.
Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 26(SRC), determined from a structure estimation method(2), indicates that ethylene sulfide is expected to have very high mobility in soil(SRC). Volatilization of ethylene sulfide from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.5X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Ethylene sulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.50X10+2 mm Hg(4). Ethylene oxide hydrolyzes slowly in fresh and salt water(5); by analogy, ethylene sulfide may act similarly and therefore hydrolysis on moist soil may be a slow environmental fate process(SRC). Biodegradation data were not available(SRC, 2008).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 26(SRC), determined from a structure estimation method(2), indicates that ethylene sulfide is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 3.5X10-4 atm-cu m/mole, developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 8 hours and 5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 0.81(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Ethylene oxide hydrolyzes slowly in fresh and salt water(8); by analogy ethylene sulfide may act similarly(SRC). The half-life for this reaction is 12-14 days for pH's between 5-7 in fresh water and 9-11 days in salt water(8-10). Biodegradation data were not available(SRC, 2008).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), ethylene sulfide, which has a vapor pressure of 250 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase ethylene sulfide is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 8 days (SRC), calculated from its rate constant of 2.0X10-12 cu cm/molecule-sec at 25 °C, that was derived using a structure estimation method(3). Ethylene sulfide does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Food Survey ValuesEthylene sulfide has been identified, but not quantified, as a volatile flavor component of meat flavoring in mutton and beef products(1).
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Soil Adsorption/Mobility · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc of ethylene sulfide can be estimated to be 26(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethylene sulfide is expected to have very high mobility in soil.

Human Toxicity Excerpts/OTHER TOXICITY INFORMATION/ Ethylene sulfide is highly toxic when ingested, highly to moderate by inhalation, and an eye and dermal irritant.

安全データ

F
10-13-23
wgk
3
tsca
TSCA listed
rtecs
KX3500000
ridadr
UN 1992 3/PG 2
hs_code
29349990

化学と産業

用途と製造

Uses · 2 件

Used as a chemical intermediate; [HSDB]

Chemical intermediate; biocide

U.S. Exports · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) No Data

U.S. Production · 2 件

(1979) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.

(1981) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.

Methods of Manufacturing · 2 件

...SYNTHESIZED BY REACTION OF 2-HALOETHYLTHIOCYANATES WITH SODIUM SULFIDE. OTHER METHODS...INCL...(1) REACTION OF ETHYLENE CARBONATE WITH SODIUM OR POTASSIUM THIOCYANATE; (2) REACTION OF ETHYLENE MONOTHIOCARBONATE WITH SODIUM CARBONATE... ...METHODS OF SYNTHESIS INCL...(3) REACTION OF ETHYLENE OXIDE WITH THIOUREA, INORGANIC THIOCYANATES OR CARBONYL SULFIDE.

PROBABLY BY REACTION OF ETHYLENE OXIDE WITH POTASSIUM THIOCYANATE OR THIOUREA IN AQUEOUS SOLUTION

General Manufacturing Information · 2 件

Thiirane: ACTIVE

PATENTS HAVE BEEN FILED FOR USE OF ETHYLENE SULFIDE AS MONOMER... (EG, IN THE PRODN OF HOMOPOLYMERS & COPOLYMERS), AS A MODIFYING AGENT FOR OTHER POLYMERS (EG, CELLULOSE), AS CHEMICAL INTERMEDIATE (EG, FOR PESTICIDES AND LUBRICANT ADDITIVES) & AS DIRECT-ACTING DISINFECTANT.

応用分野 · 2 件

用途耐光性セルロースフィルム原料

使用Ethylene sulfide is generally used in the preparation of organosulfur compounds, especially for mercaptoethylation of primary and secondary amines to obtain aminothiols.It is used in the synthesis of dendritic thioether ligands to stabilize gold nanoparticles (Au NPs).Chitosan can be chemically modified by treating ethylene sulfide to obtain a biopolymer for the removal of divalent cations from aqueous solutions.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
聊城信立新材料有限公司18963527911 18006357927 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]

関連反応

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