1-(2-Hydroxyethyl)piperazine (HCID 7677)

名称と識別子

優先名称: 1-(2-Hydroxyethyl)piperazine
IUPAC: 2-piperazin-1-ylethanol
現地名: 1-ピペラジンエタノール
英語名: 1-(2-Hydroxyethyl)piperazine
分子式: C6H14N2O
分子量: 130.19

名称と別名

N-(2-Hydroxyethyl)piperazine103-76-41-(2-Hydroxyethyl)piperazine1-PIPERAZINEETHANOL2-Piperazin-1-ylethanol2-PiperazinoethanolHydroxyethylpiperazine2-(1-Piperazinyl)ethanol1-Piperazinethanol2-HydroxyethylpiperazineUSAF DO-222-(piperazin-1-yl)ethanol

名称をさらに表示

1-ピペラジンエタノール2-(ピペラジン-1-イル)エタノール2-ピペラジノエタノール1-(2-ヒドロキシエチル)ピペラジンピペラジン-1-エタノール2-(1-ピペラジニル)エタノールN(ヒドロキシエチル)ピペラジンN-(2-ヒドロキシエチル)ピペラジンＮ（２′ヒドロキシエチル）ピペラジン1-ピペラジンエタノール〔1-(2-ヒドロキシエチル)ピペラジン〕1‐ピペラジンエタノール2-(1-ピペラジル)エタノール1-(2-ヒドロキシエチル)ピペラジン, 98+%N- (2- HYDROXYETHYL) PIPERAZINE(1-ピペラジンエタノール)2-(Piperazin-1-yl)ethan-1-olN-HYDROXYETHYLPIPERAZINE2-PIPERAZIN-1-YL-ETHANOLHydroxyethylPiperazine /1-PiperazineethanolNSC 60706NSC 38969

4-(2-Hydroxyethyl)piperazineEthanol, 2-(1-piperazinyl)-N-(beta-Hydroxyethyl)piperazine1-(beta-Hydroxyethyl)piperazineNSC 26884CCRIS 6687DTXSID3021853G7VXS31ZFP

データベース識別子

CAS: 103-76-4
PubChem CID: 7677
DTXSID: DTXSID3021853
ChEMBL: CHEMBL3183736
UNII: G7VXS31ZFP
EC Number: 203-142-3
Nikkaji: J76.692E

物性

構造計算による物性

XLogP: -1.1
極性表面積: 35.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 71

実験および物理化学的性質

Physical Description · 2 件

Liquid

Light yellow liquid; [Aldrich MSDS]

Kovats Retention Index1948；1985

Collision Cross Section125.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3021853]；124.7 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3021853]

物理化学的性質

融点: -38.5 °C · -38.5 °C
沸点: 246 °C · 246 °C(lit.)
比重(密度): 1.061 g/mL · 1.061 g/mL at 25 °C(lit.)
蒸気圧: 0.007 hPa · 0.007 hPa (20 °C)
屈折率: 20 · n20/D 1.506(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 油性液体
酸解離定数(Pka): 14.96 · 14.96±0.10(Predicted)
色: 無色透明～淡黄色
比重: 1.06 · 1.060
PH: 12.3 · 12.3 (100g/l, H2O, 20℃)
爆発限界(explosive limit): 1.4 · 1.4-8.9%(V)
水溶解度: 混和性
BRN: 104361 · 104361
Henry's Law Constant: 2.9 · 2.9×103 mol/(m3Pa) at 25℃, Nguyen (2013)
InChI: 1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
InChIKey: WFCSWCVEJLETKA-UHFFFAOYSA-N
SMILES: OCCN1CCNCC1
LogP: -1.47 at · -1.47 at 25℃
CAS データベース: 103 · 103-76-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Piperazineethanol(103-76-4)
EPAの化学物質情報: 1 · 1-Piperazineethanol (103-76-4)

化学的性質

化学的特性clear colorless to pale yellow oily liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (76.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (18.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (19.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 260 reports by companies from 20 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: 1-Piperazineethanol

1-Piperazineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanol 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: 06-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19699；Status: Active Update: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21255

2-(1-Piperazinyl) ethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

A moderate eye and mild skin irritant; Causes somnolence, muscle weakness, and muscle contraction or spasticity in oral lethal-dose studies of guinea pigs and rabbits; [RTECS] An irritant; Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals. [Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (80%)；Eye Dam. 1 (76.5%)；Eye Irrit. 2 (18.8%)；STOT SE 3 (19.6%)

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

法規制情報

Regulatory Information · 4 件

Chemical: 1-Piperazineethanol

1-Piperazineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanol 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: 06-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19699；Status: Active Update: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21255

2-(1-Piperazinyl) ethanol: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 1
tsca: TSCA listed
rtecs: TL6825000
毒性: LD50 orally in Rabbit: 4000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
hs_code: 29335995
risk_code: 36/37/38-41-38
化審法: (5)-957, (5)-3833
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/39-37/39
自然発火温度: 280 °C
Hazard Classifications: Eye Dam. 1Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: 700,000 - <850,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 400,000 - <550,000 lb；2020: 100,000 - <250,000 lb

Industry UsesOther；Solvent；Flotation agent；Intermediate；Absorbent

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing；Petroleum Refineries；All Other Basic Organic Chemical Manufacturing；Mining (except Oil and Gas) and support activities

1-Piperazineethanol: ACTIVE

応用分野

説明1-(2-Hydroxyethyl)piperazine (HEP) is obtained during ethyleneamine production and used for corrosion inhibitors, pharmaceuticals, surfactants, and synthetic fibers.

使用1-(2-Hydroxyethyl)piperazine is a hydroxyalkyl substituted pieprazine used in the preparation of pharmaceutical compounds such as neuroleptic agents.

上流・下流製品情報

上流原料

ピペラジン六水和物 N,N-ビス(2-ヒドロキシエチル)エチレンジアミン 4-(2-ヒドロキシエチル)ピペラジン-2-オンビス(2-クロロエチル)アミン 1-BOC-4-(2-ヒドロキシエチル)ピペラジン 1-アリル-4-(2-ヒドロキシエチル)ピペラジンピペラジン-1,4-ビスエタノール酸化エチレン 2-ブロモエタノールピペラジングリコールアルデヒドトリエタノールアミン

下流製品

二マレイン酸アセトフェナジン 1,4-ジヒドロ-2,6-ジメチル-4-(3-ニトロフェニル)-3,5-ピリジンジカルボン酸3-[2-[4-(ジフェニルメチル)ピペラジン-1-イル]エチル]5-メチル 1-(2-ヒドロキシエチル)-4-メチルピペラジン 1,4-ジアザビシクロ[2.2.2]オクタン 1-エチルピペラジン 2-(4-Benzhydrylpiperazino)ethyl acetoacetate

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

1-ピペラジンエタノール

基本情報