2-이미다졸리돈
2-Imidazolidinone
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기본 정보
- CAS
120-93-4- 표준 SMILES
O=C1NCCN1- InChIKey
YAMHXTCMCPHKLN-UHFFFAOYSA-N- 분자식
- C3H6N2O
- 평균 분자량
- 86.09 g/mol
- 단동위원소 질량
- 86.04801282
이름 및 식별자
- 우선 이름
- 2-Imidazolidinone
- IUPAC
- imidazolidin-2-one
- 현지명
- 2-이미다졸리돈
- 영어명
- 2-Imidazolidone
- 분자식
- C3H6N2O
- 분자량
- 86.09
이름 및 동의어
2-Imidazolidoneimidazolidin-2-one120-93-42-ImidazolidinoneETHYLENEUREAimidazolidinoneEthylene urea2-Oxoimidazolidine1,3-EthyleneureaMonoethyleneurea2-OxomidazolidineSD 6073
이름 더 보기
2-이미다졸리돈에틸렌우레아에틸렌우레아이미다졸리디논ImidazolidoneidoneEthylene urea anhydrousEthylenurea1,3-ethylene-uresd6073
Urea, N,N'-(1,2-ethanediyl)-DTXSID0020602NSC-21314DTXCID206022K48456N55CHEBI:37001RefChem:596753CHEBI:55370
데이터베이스 식별자
- CAS
120-93-4- PubChem CID
- 8453
- DTXSID
DTXSID0020602- ChEMBL
CHEMBL12034- ChEBI
CHEBI:37001- UNII
- 2K48456N55
- EC Number
- 204-436-4
- Nikkaji
- J9.352A
물성
구조 계산 물성보충 중
- XLogP
- -1.3
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 63
실험 및 물리화학적 성질
Color/Form
NEEDLES FROM CHLOROFORM
WHITE LUMPY POWDER
Solubility
VERY SOL IN WATER & IN HOT ALC; DIFFICULTLY SOL IN ETHER
SLIGHTLY SOL IN CHLOROFORM
Melting Point131 °C
Physical Description
CBI; Liquid
White odorless solid; [Hawley] Light yellow crystals; [Aldrich MSDS]
물리화학적 성질
- 녹는점
- 129 · 129-132 °C (lit.)
- 끓는 점
- 158.75 °C · 158.75°C (rough estimate)
- 밀도
- 1.153 · 1.1530 (rough estimate)
- 증기압
- 0.002 Pa · 0.002Pa at 20℃
- 굴절률
- 1.511 · 1.5110 (estimate)
- 인화점
- 265 °C · 265°C
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 분말 또는 결정성 분말
- 산도 계수 (pKa)
- 14.58 · 14.58±0.20(Predicted)
- 색상
- 흰색에서 황백색까지
- 냄새
- 냄새 없는
- 수용성
- 녹는
- Merck
- 14 · 14,4914
- BRN
- 106252 · 106252
- 화장품 원료 기능
- 향수향기
- 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℃
- NIST
- 2 · 2-Imidazolidinone(120-93-4)
- EPA
- 2 · 2-Imidazolidinone (120-93-4)
화학적 성질
White to off-white solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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
Hazards SummaryAn 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%)
독성 정보
Plant Concentrations
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
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).
규제 정보
Regulatory Information
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
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- NJ0570000
- 독성
- mouse,LD50,intraperitoneal,500mg/kg (500mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.
- HS 번호
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- 기존화학 물질
- KE-20942
- Hazard Classifications
- Eye Irrit. 2STOT RE 2
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 120-93-4(Hazardous Substances Data)
화학 및 산업
약리 정보
Metabolism/Metabolites
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.
용도 및 제조
Uses
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
(1975) No Data
(1977) No Data
U.S. Imports
(1975) No Data
(1977) No Data
U.S. Production
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
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
Use Classification
Fragrance Ingredients
Environmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing；All Other Basic Organic Chemical Manufacturing；Textiles, apparel, and leather manufacturing
2-Imidazolidinone: ACTIVE
응용 분야
용도2-Imidazolidone can be used as reactant for synthesis of Chiral microporous materials from achiral precursors.
일반 설명Find more information here: Neonicotinoids
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