4-메틸모르폴린 4-산화물
Methyl morpholine oxide
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기본 정보
- CAS
7529-22-8- 표준 SMILES
C[N+]1([O-])CCOCC1- InChIKey
LFTLOKWAGJYHHR-UHFFFAOYSA-N- 분자식
- C5H11NO2
- 평균 분자량
- 117.15 g/mol
- 단동위원소 질량
- 117.07897859
개요
N-methylmorpholine N-oxide is a morpholine N-oxide resulting from the oxidation of the amino group of N-methylmorpholine.
이름 및 식별자
- 우선 이름
- Methyl morpholine oxide
- IUPAC
- 4-methyl-4-oxidomorpholin-4-ium
- 현지명
- 4-메틸모르폴린 4-산화물
- 영어명
- 4-Methylmorpholine N-oxide
- 분자식
- C5H11NO2
- 분자량
- 117.15
이름 및 동의어
7529-22-84-Methylmorpholine 4-oxideN-Methylmorpholine oxideN-Methylmorpholine N-oxideMorpholine, 4-methyl-, 4-oxideMethyl morpholine oxide4-Methylmorpholine-4-oxide4-Methylmorpholine Oxide4-methylmorpholine-N-oxideN-Methylmorpholine 4-oxideNSC 73198NSC 82153
이름 더 보기
4-메틸모르폴린4-산화물4-메틸모르폴린4-산화물(4-METHYLMORPHOLINE4-OXIDE)메틸모폴린옥사이드4-메틸모폴린 N-옥사이드4-메틸모르폴린N-옥사이드NMO4-methyl-morpholin4-oxideMMNO4-methyl-4-oxidomorpholin-4-ium4-methylmorpholine n-oxide solution4-MethylMorpholin-4-iuM-4-olate
DTXSID3029287EINECS 231-391-8NSC-73198NSC-821534-methylmorpholine 4-oxide, monohydrateDTXCID509287CHEBI:52093EC 231-391-8
데이터베이스 식별자
- CAS
7529-22-8- PubChem CID
- 82029
- DTXSID
DTXSID3029287- ChEMBL
CHEMBL3184330- ChEBI
CHEBI:52093- UNII
- ARC64PKJ0F
- EC Number
- 231-391-8
- Nikkaji
- J256.599D
물성
구조 계산 물성보충 중
- XLogP
- -0.7
- 극성 표면적
- 27.3 Ų
- 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
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amine Oxides
CosmeticsCleansing; Foam boosting; Surfactant
Physical Description
Liquid
White hygroscopic solid; [Merck Index] Light yellow crystalline solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 180 · 180-184 °C(lit.)
- 끓는 점
- 118 · 118-119°C
- 밀도
- 1 · 1,14 g/cm3
- 증기압
- 1.41 hPa · 1.41hPa at 20℃
- 굴절률
- 20 · n20/D 1.43
- 인화점
- 118 · 118-119°C
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(용해성), 메탄올(약간)에 용해됨
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 4.93 · 4.93±0.20(Predicted)
- 색상
- 무색~황색으로 투명함
- 수소이온지수(pH)
- 9 · 9.00 ( in neat)
- 수용성
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 0.5% (1 of 202) of reports.
Danger
H228 (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.
유해성 정보
Regulatory Information
Chemical: Morpholine, 4-methyl-, 4-oxide
Morpholine, 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/15946
Morpholine, 4-methyl-, 4-oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
An irritant; [Merck Index] An oxidizer that may intensify fire; [ECHA REACH Registrations] A skin and strong eye irritant; May 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 CategoriesFlam. Sol. 1 (66.8%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Uses
Used as a reagent in synthetic organic chemistry and commercially for swelling and dissolution of cellulose; [Merck Index] Used as an intermediate, to make flexible and rigid polyurethane foams, as a solvent in synthetic fiber production, and in industrial and professional coatings, adhesives, and sealants; [ECHA REACH Registrations]
Textiles (Fiber & Fabric Manufacturing) [Category: Industry]
U.S. Production2023: 500,000 - <1,000,000 lb
Industry UsesOther
Use ClassificationCosmetics -> Cleansing; Foam boosting; Surfactant
General Manufacturing Information
Organic Fiber Manufacturing
Morpholine, 4-methyl-, 4-oxide: ACTIVE
응용 분야
용도4-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 설명4-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.
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