4-메틸모르폴린 4-산화물

4-메틸모르폴린4-산화물 · 4-메틸모르폴린4-산화물(4-METHYLMORPHOLINE4-OXIDE) · 메틸모폴린옥사이드 · 4-메틸모폴린 N-옥사이드 · 4-메틸모르폴린N-옥사이드 · NMO · 4-METHYLMORPHOLINE 4-OXIDE · N-Methylmorpholine oxide

https://huagongshe.com/ko/chemical/82029

식별자 및 물리적 특성

CAS No.	7529-22-8
분자식	C5H11NO2
평균 분자량	117.15 g/mol
단동위원소 질량	117.07897859 g/mol
SMILES	C[N+]1([O-])CCOCC1
InChIKey	LFTLOKWAGJYHHR-UHFFFAOYSA-N
PubChem CID	82029
ChEMBL	CHEMBL3184330
ChEBI	CHEBI:52093
EC No.	231-391-8
DTXSID	DTXSID3029287
현지명	4-메틸모르폴린 4-산화물

화학 및 물리적 성질

XLogP	-0.7
극성 표면적	27.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	8
형식 전하	0
복잡도	78.5
물질 분류	Nitrogen Compounds -> Amine Oxides
화장품	CleansingFoam boostingSurfactant
Physical Description	LiquidWhite hygroscopic solid[Merck Index] Light yellow crystalline solid[Sigma-Aldrich MSDS]
녹는점	180-184 °C(lit.)
끓는 점	118-119°C
밀도	1,14 g/cm3
증기압	1.41hPa at 20℃
굴절률	n20/D 1.43
인화점	118-119°C
저장 조건	2-8°C
용해도	DMSO(용해성), 메탄올(약간)에 용해됨
물리적 상태	액체
pKa(산도 계수)	4.93±0.20(Predicted)
색상	무색~황색으로 투명함
pH	9.00 ( in neat)
용해도	물, 메탄올, 에탄올, 아세톤, 에테르 및 디메틸설폭사이드에 용해됩니다.
BRN	507437
안정성	흡습성
화장품 원료 기능	계면활성제 - 거품 증진제계면활성제 - 세정세척제
InChI	1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3
InChIKey	LFTLOKWAGJYHHR-UHFFFAOYSA-N
SMILES	C[N+]1([O-])CCOCC1
LogP(분배 계수)	-1.2 at 25℃
NIST	N-Methylmorpholine-N-oxide(7529-22-8)
EPA	Morpholine, 4-methyl-, 4-oxide (7529-22-8)

화학적 성질

Clear colorless to yellow solution

안전 및 규제

위험 등급
GHS 분류	This chemical does not meet GHS hazard criteria for 0.5% (1 of 202) of reports.DangerH228 (66.8%): Flammable solid [Danger Flammable solids]P203, P210, P220, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 202 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Morpholine, 4-methyl-, 4-oxideMorpholine, 4-methyl-, 4-oxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Morpholine, 4-methyl-, 4-oxide 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: 12-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15946Morpholine, 4-methyl-, 4-oxide: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	An irritant[Merck Index] An oxidizer that may intensify fire[ECHA REACH Registrations] A skin and strong eye irritantMay cause allergic reactions in sensitive individuals, based on QSAR modeling[Sigma-Aldrich MSDS] Search for (7529-22-8[EC/RN Number]) AND (allergic OR sensitizer OR sensitization OR dermatitis): no results[PubMed]
Hazard Classes and Categories	Flam. Sol. 1 (66.8%)
수질 위해 등급(WGK)	1
TSCA 등재 상태	TSCA listed
관세 코드	29349990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36/37
기존화학 물질	97-3-137

용도

4-Methylmorpholine N-Oxide is a metabolite of Morpholine (M723725). N-Methylmorpholine N-Oxide is commonly used to dissolve cellulose as well as in the dissolution of of scleroproteins.

일반 설명

4-MethylmorpholineN-oxide is an organic compound used as a co-oxidant along with OsO4 and ruthenates in organic synthesis. In recent studies, it has been used as a catalyst in silylcyanation of aldehydes and ketones. Lyocell, a regenerated cellulose fiber, can be prepared using 4-methylmorpholineN-oxide in an eco-friendly manner.