1-(2-하이드록시에틸)피롤리딘-2-온

1-(2-하이드록시에틸)피롤리딘-2-온 · N-(2-히드록시에틸)-2-피롤리돈 · 1-(2-hydroxyethyl)pyrrolidin-2-one · 1-(2-HYDROXYETHYL)-2-PYRROLIDONE · N-HYDROXYETHYL PYRROLIDONE · 1-(2-HYDROXYETHYL)-2-PYRROLIDINONE · 2-Pyrrolidinone, 1-(2-hydroxyethyl)- · HEPEN

https://huagongshe.com/ko/chemical/76980

식별자 및 물리적 특성

CAS No.	3445-11-2
분자식	C6H11NO2
평균 분자량	129.16 g/mol
단동위원소 질량	129.07897859 g/mol
SMILES	O=C1CCCN1CCO
InChIKey	WDQFELCEOPFLCZ-UHFFFAOYSA-N
PubChem CID	76980
ChEMBL	CHEMBL3185308
EC No.	222-359-4
DTXSID	DTXSID7044922
현지명	1-(2-하이드록시에틸)피롤리딘-2-온

화학 및 물리적 성질

XLogP	-0.8
극성 표면적	40.5
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	9
형식 전하	0
복잡도	114
물질 분류	Nitrogen Compounds -> Other Nitrogen Compounds
Physical Description	Melting point = 20 deg C[ChemIDplus] Clear dark brown viscous liquid[Sigma-Aldrich MSDS]
녹는점	19-21°C
끓는 점	140-142 °C/3 mmHg (lit.)
밀도	1.143 g/mL at 25 °C (lit.)
증기압	0.02Pa at 20℃
굴절률	n20/D 1.496(lit.)
인화점	>230 °F
저장 조건	Sealed in dry,Room Temperature
물리적 상태	powder to lump to clear liquid
pKa(산도 계수)	14.49±0.10(Predicted)
색상	White or Colorles to Yellow to Orange
용해도	1000g/L at 20℃
BRN	112181
안정성	안정적인. 강한 산화제와 호환되지 않습니다.
InChI	1S/C6H11NO2/c8-5-4-7-3-1-2-6(7)9/h8H,1-5H2
InChIKey	WDQFELCEOPFLCZ-UHFFFAOYSA-N
SMILES	OCCN1CCCC1=O
LogP(분배 계수)	-1.03 at 25℃
NIST	N-(2-Hydroxyethyl)-2-pyrrolidone(3445-11-2)
EPA	2-Pyrrolidinone, 1-(2-hydroxyethyl)- (3445-11-2)

화학적 성질

deep brown to yellow liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 82.2% (189 of 230) of all reports.WarningH315 (17.4%): 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 230 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 2-Pyrrolidinone, 1-(2-hydroxyethyl)-Status: Active Update: 26-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/131792-Pyrrolidinone, 1-(2-hydroxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	A mild eye irritant[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] See N-Ethyl-2-pyrrolidone and Methylpyrrolidinone.
Hazard Classes and Categories	Skin Irrit. 2 (17.4%)
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	UY5776500
관세 코드	2933.79.8500
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
기존화학 물질	2001-3-1829
저장 분류	10 - Combustible liquids

용도

1-(2-Hydroxyethyl)-2-pyrrolidone may be used in chemical synthesis.