CAS 3699-54-5 Hydroxyethyl imidazolidinone (HCID 77290)

基本情報

CAS: 3699-54-5
標準SMILES: O=C1NCCN1CCO
InChIKey: HBAIZGPCSAAFSU-UHFFFAOYSA-N
分子式: C5H10N2O2
平均分子量: 130.15 g/mol
単同位体質量: 130.07422756

名称と識別子

優先名称: Hydroxyethyl imidazolidinone
IUPAC: 1-(2-hydroxyethyl)imidazolidin-2-one
現地名: 1-(2-ヒドロキシエチル)イミダゾリジン-2-オン
英語名: 1-(2-Hydroxyethyl)-2-imidazolidinone
分子式: C5H10N2O2
分子量: 130.15

名称と別名

3699-54-51-(2-Hydroxyethyl)imidazolidin-2-one1-(2-Hydroxyethyl)-2-imidazolidinoneHydroxyethyl imidazolidinone2-Imidazolidinone, 1-(2-hydroxyethyl)-HydroxyethylethyleneureaNSC 5775N-(2-Hydroxyethyl)ethyleneurea1-(Hydroxyethyl)ethyleneureaN0K8F6P8IFEINECS 223-032-9DTXSID0029260

名称をさらに表示

1-(2-ヒドロキシエチル)-2-イミダゾリジノン1-(2-ヒドロキシエチル)イミダゾリジン-2-オンヒドロキシエチルイミダゾリジノン1-(2-ヒドロキシエチル)-2-イミダゾリジノン溶液1-(2-HYDROXYETHYL)-2-IMIDAZOLIDINONE, 75 % SOLUTION IN WATERTIMTEC-BB SBB0082881-(2-Hydroxyethyl)-2N-(2-Hydroxyethyl)-ethyleneN-Hydroxy-2-imidazolidinoneN-Hydroxylethyl Ethyleneurea

AI3-24563NSC-5775EC 223-032-9SARTOMER SR 511DTXCID109260N-(2-HYDROXYETHYL)IMIDAZOLIDONEN-(.BETA.-HYDROXYETHYL)-N,N'-ETHYLENE UREARefChem:789470

データベース識別子

CAS: 3699-54-5
PubChem CID: 77290
DTXSID: DTXSID0029260
ChEMBL: CHEMBL3188894
UNII: N0K8F6P8IF
EC Number: 223-032-9
Nikkaji: J205.615A

物性

構造計算による物性

XLogP: -1.4
極性表面積: 52.6 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 116

実験および物理化学的性質

Physical DescriptionOther Solid; Liquid; Other Solid

物理化学的性質

融点: 46 · 46-49°C
沸点: 185 °C · 185°C 3,5mm
比重(密度): 1.19 g/mL · 1.19 g/mL at 25 °C
蒸気圧: 0.001 Pa · 0.001Pa at 25℃
屈折率: 20 · n20/D 1.466
闪点: 185 °C/3.5mm · 185°C/3.5mm
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 14.3 · 14.30±0.20(Predicted)
色: オフホワイトからダークイエロー
水溶解度: 982 g/L · 982g/L at 20℃
BRN: 116407 · 116407
化粧品成分の機能: 保湿剤
InChI: 1S/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)
InChIKey: HBAIZGPCSAAFSU-UHFFFAOYSA-N
SMILES: OCCN1CCNC1=O

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 43.8% (185 of 422) of reports.

Warning

H315 (56.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 422 reports by companies from 8 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: 2-Imidazolidinone, 1-(2-hydroxyethyl)-

2-Imidazolidinone, 1-(2-hydroxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Imidazolidinone, 1-(2-hydroxyethyl)- 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: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12698

2-Imidazolidinone, 1-(2-hydroxyethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (56.2%)

安全データ

wgk: 1
tsca: TSCA listed
risk_code: 36/37/38
化審法: 新規公示化学物質（2011年3月31日以前届出）
hazard_code: Xi
safety_code: 26-36
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesMonomers

Industry UsesMonomers

General Manufacturing Information · 2 件

Paint and Coating Manufacturing

2-Imidazolidinone, 1-(2-hydroxyethyl)-: ACTIVE

応用分野 · 2 件

使用1-(2-Hydroxyethyl)-2-imidazolidinone is one of the component in the formula of the environment-friendly water-based primer with the function of purifying air;Also, it is used in the preparation of a diatomite-supported formaldehyde scavenging agent.

一般的な説明1-(2-Hydroxyethyl)-2-imidazolidinone has been identified as monoethanolamine (MEA) degradation product in IMC Chemicals Facility in Trona, CA plant performing CO2 capture from flue gas. It was also identified from the MEA reclaimer from a CO2 capture facility product. It was also identified as the most stable thermal degradation product of MEA.