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2-イミダゾリジノン

2-Imidazolidinone

HCID 8453
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基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
120-93-4
標準SMILES
O=C1NCCN1
InChIKey
YAMHXTCMCPHKLN-UHFFFAOYSA-N
分子式
C3H6N2O
平均分子量
86.09 g/mol
単同位体質量
86.04801282

名称と識別子

優先名称
2-Imidazolidinone
IUPAC
imidazolidin-2-one
現地名
2-イミダゾリジノン
英語名
2-Imidazolidone
分子式
C3H6N2O
分子量
86.09

名称と別名

2-Imidazolidoneimidazolidin-2-one120-93-42-ImidazolidinoneETHYLENEUREAimidazolidinoneEthylene urea2-Oxoimidazolidine1,3-EthyleneureaMonoethyleneurea2-OxomidazolidineSD 6073
名称をさらに表示
2-イミダゾリジノンN,N'-(1,2-エタンジイル)尿素2-イミダゾリドンイミダゾリジノンエチレン尿素イミダゾリジン-2-オンN,N'-エチレン尿素2-オキソイミダゾリジン1,3-ジアゾリジン-2-オン1,3-エチレン尿素1-イミダゾリン-2-オール2-イミダゾリドン(エチレン尿素)2‐イミダゾリジノンImidazolidoneidoneEthylene urea anhydrousEthylenurea1,3-ethylene-uresd6073
Urea, N,N'-(1,2-ethanediyl)-DTXSID0020602NSC-21314DTXCID206022K48456N55CHEBI:37001RefChem:596753CHEBI:55370

データベース識別子

CAS
120-93-4
PubChem CID
8453
DTXSID
DTXSID0020602
ChEMBL
CHEMBL12034
ChEBI
CHEBI:37001
UNII
2K48456N55
EC Number
204-436-4
Nikkaji
J9.352A

物性

構造計算による物性補完中

XLogP
-1.3
極性表面積
41.1 Ų
水素結合供与体数
2
水素結合受容体数
1
回転可能結合数
0
重原子数
6
形式電荷
0
複雑度
63

実験および物理化学的性質

Color/Form · 2 件

NEEDLES FROM CHLOROFORM

WHITE LUMPY POWDER

Solubility · 2 件

VERY SOL IN WATER & IN HOT ALC; DIFFICULTLY SOL IN ETHER

SLIGHTLY SOL IN CHLOROFORM

Melting Point131 °C
Physical Description · 2 件

CBI; Liquid

White odorless solid; [Hawley] Light yellow crystals; [Aldrich MSDS]

物理化学的性質

融点
129 · 129-132 °C (lit.)
沸点
158.75 °C · 158.75°C (rough estimate)
比重(密度)
1.153 · 1.1530 (rough estimate)
蒸気圧
0.002 Pa · 0.002Pa at 20℃
屈折率
1.511 · 1.5110 (estimate)
闪点
265 °C · 265°C
貯蔵温度
Sealed in dry,Room Temperature
外見
粉末または結晶性粉末
酸解離定数(Pka)
14.58 · 14.58±0.20(Predicted)
色
ホワイトからオフホワイト

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.1% (1 of 857) of reports.

Warning

H319 (99.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H361 (13%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H373 (24.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P203, P260, P264+P265, P280, P305+P351+P338, P318, P319, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 857 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 857 reports by companies.;There are 13 notifications provided by 856 of 857 reports by companies with hazard statement code(s).;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 · 5 件

Chemical: 2-Imidazolidinone

Commission Regulation No 844/2012

2-Imidazolidinone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Imidazolidinone 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: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12504

Ethylene urea: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

化学と産業

薬理情報

Metabolism/Metabolites · 2 件

METABOLISM STUDY IN RATS INDICATES THAT DEHYDROGENATION OF (14)C-ETHYLENEUREA IS EXTENSIVE YIELDING IMIDAZOLE AS MAJOR URINARY METABOLITE. COMPOUND WAS ADMINISTRATED ORALLY.

IN MICE TREATED ORALLY WITH (14)C-LABELED ETHYLENETHIOUREA, ETHYLENEBISDIISOTHIOCYANATO SULFIDE, MANEB, & ZINEB, ETHYLENEUREA WAS A URINARY METABOLITE.

用途と製造

Uses · 4 件

Used to make high polymers, plasticizers, lacquers, adhesives, and textile and leather finishing agents; Also used as an insecticide; [HSDB]

Farming (Pesticides) [Category: Industry]

MFR HIGH POLYMERS; IN FORMULATION OF PLASTICIZERS, LACQUERS, & ADHESIVES; INSECTICIDE

CHEM INT FOR TEXTILE & LEATHER FINISHING AGENTS

U.S. Exports · 2 件

(1975) No Data

(1977) No Data

U.S. Imports · 2 件

(1975) No Data

(1977) No Data

U.S. Production · 3 件

2023: 250,000 - <400,000 lb;2022: 250,000 - <400,000 lb;2021: 250,000 - <400,000 lb;2020: 400,000 - <550,000 lb

(1975) No Data

(1977) No Data

Consumer UsesFragrance;Solvent
Industry UsesIntermediate;Fragrance;Wrinkle resisting agent
Methods of Manufacturing · 2 件

REACTION OF ETHYLENEDIAMINE AND UREA

PREPD FROM ETHYLENEDIAMINE & CARBON DIOXIDE UNDER INFLUENCE OF HEAT & PRESSURE...

Household ProductsInformation on 1 consumer products that contain Imidazolidinone in the following categories is provided:;• Inside the Home

関連反応

181 件
反応記録を作成
HRID 1599 の反応式
HRID 1599反応物としてuspto-grants-1998_03
HRID 1664 の反応式
HRID 1664反応物としてuspto-grants-1998_03
HRID 2134 の反応式
HRID 2134反応物としてuspto-grants-1998_03
HRID 2698 の反応式
HRID 2698反応物としてuspto-grants-1998_03
HRID 2722 の反応式
HRID 2722反応物としてuspto-grants-1998_03
HRID 15777 の反応式
HRID 15777反応物としてuspto-grants-2010_06
HRID 15871 の反応式
HRID 15871反応物としてuspto-grants-2010_06
HRID 25923 の反応式
HRID 25923反応物としてuspto-grants-1979_04
1 / 23 ページ

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
臭い (Odor)
無臭
水溶解度
溶ける
Merck
14 · 14,4914
BRN
106252 · 106252
化粧品成分の機能
香料香料
InChI
1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
InChIKey
YAMHXTCMCPHKLN-UHFFFAOYSA-N
SMILES
O=C1NCCN1
LogP
-1.16 at · -1.16 at 25℃
CAS データベース
120 · 120-93-4(CAS DataBase Reference)
NISTの化学物質情報
2 · 2-Imidazolidinone(120-93-4)
EPAの化学物質情報
2 · 2-Imidazolidinone (120-93-4)

化学的性質

化学的特性White to off-white solid

Hazards Summary
An irritant; [Aldrich MSDS] Intraperitoneal LD50 (mouse) = 500 mg/kg; [RTECS]
Hazard Classes and CategoriesEye Irrit. 2 (99.9%);Repr. 2 (13%);STOT RE 2 (24.3%)

毒性情報

Plant Concentrations · 1 件

MANCOZEB, 2-IMIDAZOLINE & ETHYLENEUREA RESIDUES WERE DETERMINED IN TOMATO & POTATO CROPS AFTER FIELD TREATMENT WITH MANCOZEB. LOW LEVELS (LESS THAN 0.04 PPM) OF ETHYLENEUREA WERE PRESENT IN TOMATOES UP TO 28 DAYS AFTER SPRAYING. ETHYLENEUREA WAS NOT DETECTABLE IN POTATO TUBERS.

Non-Human Toxicity Excerpts · 4 件

ETHYLENEUREA INDUCED CANCER IN RATS & MICE WHEN ADDED TO FOOD WITH SODIUM NITRITE.

EFFECTS OF 0.125-2.0 MG/ML ETHYLENEUREA IN VITRO ON XENOPUS LAEVIS SPERMATOZOA PRODUCED HIGH YIELDS OF ABNORMAL EMBRYO.

IN SALMONELLA TYPHIMURIUM HIS G-46, ETHYLENEUREA SHOWED RELATIVE MUTAGENIC ACTIVITY OF 0.9, WITH ACTIVITY DUE TO SPONTANEOUS REVERSIONS BEING 1.0.

SINGLE DOSE (480 MG/KG INTRAGASTRICALLY) OF ETHYLENEUREA WAS ADMINISTERED TO FEMALE WISTAR RATS ON DAY 12 OR 13 OF GESTATION. IT WAS NEITHER MATERNALLY TOXIC NOR TERATOGENIC (ALTHOUGH MINOR SKELETAL CHANGES WERE PRESENT).

法規制情報

Regulatory Information · 5 件

Chemical: 2-Imidazolidinone

Commission Regulation No 844/2012

2-Imidazolidinone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Imidazolidinone 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: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12504

Ethylene urea: 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
NJ0570000
毒性
mouse,LD50,intraperitoneal,500mg/kg (500mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.
hs_code
29339900
risk_code
36/37/38
化審法
(2)-1736, (5)-431
hazard_code
Xi
safety_code
26
Hazard Classifications
Eye Irrit. 2STOT RE 2
ストレージクラス
11 - Combustible Solids
有毒物質データの
120-93-4(Hazardous Substances Data)
Use Classification · 2 件

Fragrance Ingredients

Environmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing;All Other Basic Organic Chemical Manufacturing;Textiles, apparel, and leather manufacturing

2-Imidazolidinone: ACTIVE

応用分野 · 4 件

用途合成樹脂や爆薬、および農薬の原料として使われる。

用途有機合成原料。

使用2-Imidazolidone can be used as reactant for synthesis of Chiral microporous materials from achiral precursors.

一般的な説明Find more information here: Neonicotinoids

調製方法

純化方法Crystallise it from MeOH (charcoal). [Beilstein 24 III/IV 6.]

上流・下流製品情報

上流原料

エチレンジアミン (無水)

下流製品

2-イミダゾリドン0.5水和物softener VS1-アセチル-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2-メチル-2-イミダゾリン1-(2-アミノエチル)-2-イミダゾリジノン1-(3-methoxybenzyl)imidazolidin-2-one1-(m-メトキシフェニル)-2-イミダゾリジノン1-(4-Nitrophenyl)imidazolidin-2-one