Hydroxyethyl disulfide (HCID 15906)

概要

2,2'-dithiodiethanol is an organic disulfide.

名称と識別子

優先名称: Hydroxyethyl disulfide
IUPAC: 2-(2-hydroxyethyldisulfanyl)ethanol
現地名: ビス(2-ヒドロキシエチル)ジスルフィド
英語名: 2,2'-Dithiodiethanol
分子式: C4H10O2S2
分子量: 154.25

名称と別名

2-Hydroxyethyl disulfide1892-29-12,2'-DithiodiethanolBis(2-hydroxyethyl) disulfideEthanol, 2,2'-dithiobis-Hydroxyethyl disulfideDiethanol disulfide2-(2-hydroxyethyldisulfanyl)ethanol2-Hydroxyethane disulfide3,4-Dithia-1,6-hexanediolbeta-Hydroxyethyl disulfideETHANOL, 2,2'-DITHIODI-

名称をさらに表示

ビス(2-ヒドロキシエチル)ジスルフィド2,2'-ジチオビス(エタノール)2,2'-ジチオビスエタノールビス(2-ヒドロキシエチル)ペルスルフィド2-ヒドロキシエチルジスルフィド2,2'-ジチオジエタノール2-(2-ヒドロキシエチルジチオ)エタノールジチオジグリコールビス(2-ヒドロキシエチル)ジスルフィド (約50%水溶液)2,2'-ジチオジエタノール (約50%水溶液)2-ヒドロキシエチルジスルフィド (約50%水溶液)2,2'-Disulfanediylbis(ethan-1-ol)2-mercaptoethanoldisulfide2,2'-disulfanediyldiethanolusafth-9USAF th-9DITHIODIGLYCOLJACS-1892-29-1

DTXSID4044404NSC-3392045543L74BSDTXCID2024404CHEBI:43136HEDS compoundbis-(2-hydroxyethyl)-disulfideRefChem:923142

データベース識別子

CAS: 1892-29-1
PubChem CID: 15906
DTXSID: DTXSID4044404
ChEMBL: CHEMBL1233278
ChEBI: CHEBI:43136
UNII: 45543L74BS
EC Number: 217-576-6
Nikkaji: J49.832G

物性

構造計算による物性

XLogP: -0.5
極性表面積: 91.1 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 8
形式電荷: 0
複雑度: 37

実験および物理化学的性質

Chemical ClassesOther Classes -> Sulfur Compounds

DrugsPharmaceuticals -> Listed in ZINC15

Density1.261 @25 °C

Boiling Point · 2 件

158-163 °C at 3.50E+00 mm Hg

160 °C @760 [mm Hg]

Melting Point25-27 °C

Physical Description · 2 件

Liquid

Colorless viscous liquid with an unpleasant odor; Melting point approximately 25 deg C; [Alfa Aesar MSDS]

物理化学的性質

融点: 25 · 25-27 °C (lit.)
沸点: 158 · 158-163 °C/3.5 mmHg (lit.)
比重(密度): 1.261 g/mL · 1.261 g/mL at 25 °C (lit.)
蒸気圧: 0.001 Pa · 0.001Pa at 20℃
屈折率: 20 · n20/D 1.57(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: 液体
酸解離定数(Pka): 14.02 · 14.02±0.10(Predicted)
色: Colorless to Almost colorless
水溶解度: 水、エタノール、アセトン、エーテルに溶ける。
BRN: 1735851 · 1735851
InChI: 1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
InChIKey: KYNFOMQIXZUKRK-UHFFFAOYSA-N
SMILES: OCCSSCCO
LogP: -0.3 at · -0.3 at 19.9℃
CAS データベース: 1892 · 1892-29-1(CAS DataBase Reference)
EPAの化学物質情報: 2 · Ethanol, 2,2'-dithiobis- (1892-29-1)

化学的性質

化学的特性clear yellow viscous liquid after melting

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311 (37.4%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]

P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 278 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Ethanol, 2,2'-dithiobis-

Ethanol, 2,2'-dithiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-dithiobis- 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)

REACH registered substance: 2,2'-dithiobisethanol (EC: 217-576-6)

Ethanol, 2,2'-dithiobis-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses somnolence and ataxia in oral lethal-dose studies of rats; [RTECS] A strong eye irritant that may cause serious eye injury; Toxic by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (88.8%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

0.52 [mg/m3]

5.7 [mg/m3]

34 [mg/m3]

安全データ

F: 13
wgk: 3
tsca: TSCA listed
rtecs: KK7525000
ridadr: UN 2811 6.1/PG 3
hs_code: 29309099
risk_code: 25-41
消防法: 危-4-3-III
hazard_code: T
safety_code: 26-39-45
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

UsesReversible inactivator of aldehyde dehydrogenase. [ChemIDplus]

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Ethanol, 2,2'-dithiobis-: ACTIVE

応用分野

使用Bis(2-hydroxyethyl) disulfide is used as an intermediate in chemical research.

上流・下流製品情報

下流製品

Dithiolan-2-imine 2-(メチルチオ)エタノール

サプライヤー50 社

上海康恩博医药科技有限公司17510465506 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

ビス(2-ヒドロキシエチル)ジスルフィド

基本情報

概要