오도라틴 (Odoratine)
2,2,6,6-Tetramethyl-4-piperidone
기본 정보
- CAS
826-36-8- 표준 SMILES
CC1(C)CC(=O)CC(C)(C)N1- InChIKey
JWUXJYZVKZKLTJ-UHFFFAOYSA-N- 분자식
- C9H17NO
- 평균 분자량
- 155.24 g/mol
- 단동위원소 질량
- 155.13101417
개요
Triacetonamine is a member of piperidones.
이름 및 식별자
- 우선 이름
- 2,2,6,6-Tetramethyl-4-piperidone
- IUPAC
- 2,2,6,6-tetramethylpiperidin-4-one
- 현지명
- 오도라틴 (Odoratine)
- 영어명
- Triacetonamine
- 분자식
- C9H17NO
- 분자량
- 155.24
이름 및 동의어
Triacetonamine826-36-82,2,6,6-Tetramethyl-4-piperidoneVincubineTempidonTMPoneDTXSID40415272K4430S3XPNSC-16579IKH-19DTXCID20215272,2,6,6-tetramethylpiperidone-4-toluene-p-sulfonate
이름 더 보기
오도라틴 (Odoratine)TEMPTAATETRAMETHYLPIPERIDINONETRIACETONEAMINEDL-22,2,6,6-Tetramethylpiperidone2,2,6,6-tetramethyl-4-piperidon
RefChem:891346212-554-22,2,6,6-tetramethylpiperidin-4-oneTriacetonamin2,2,6,6-Tetramethyl-4-piperidinoneTriacetone amineVincubina2,2,6,6-Tetramethyl-4-oxopiperidine
데이터베이스 식별자
- CAS
826-36-8- PubChem CID
- 13220
- DTXSID
DTXSID4041527- ChEMBL
CHEMBL117614- ChEBI
CHEBI:177813- UNII
- 2K4430S3XP
- EC Number
- 212-554-2
- Nikkaji
- J107D
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 29.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 164
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
Melting Point34.9 °C
Physical DescriptionSolid
Dissociation Constants7.9
물리화학적 성질
- 녹는점
- 59 · 59-61 °C
- 끓는 점
- 105 · 105-105°C/18mm
- 밀도
- 0.9796 · 0.9796 (rough estimate)
- 굴절률
- 1.468 · 1.4680 (estimate)
- 인화점
- 73 °C · 73°C
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO및메탄올에 용해됨
- 산도 계수 (pKa)
- 9.2 · 9.20±0.60(Predicted)
- 물리적 상태
- 고체
- 색상
- 옅은 오렌지색에서 밝은 갈색까지
- 수용성
- 249 g/L · 249g/L at 20℃
- InChI
- 1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
- InChIKey
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H290 (77.1%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 192 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
REACH registered substance: 2,2,6,6-tetramethyl-4-piperidone (EC: 212-554-2)
2,2,6,6-Tetramethyl-4-piperidone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Met. Corr. 1 (77.1%)
Acute toxicity (Oral) - Category 4
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- TO0127900
- HS 번호
- 29333990
- risk_code
- 34-22-36/37/38
- hazard_code
- C,Xn
- safety_code
- 45-36/37/39-26-22-36/37
- 기존화학 물질
- 2004-3-2651
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Met. Corr. 1Skin Corr. 1BSkin Sens. 1A
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
General Manufacturing Information4-Piperidinone, 2,2,6,6-tetramethyl-: ACTIVE
응용 분야
개요Triacetonamine (CAS 826-36-8), also known as 2,2,6,6-tetramethyl-4-piperidone or TAA, is a key intermediate in the synthesis of HALS (hindered amine light stabilisers); Their ability to effectively inhibit polymer degradation by scavenging free radicals is based on their sterically hindered amine functional groups, which are capable of forming stable N-oxides as active intermediates (the Denysov cycle). TAA is also used in the synthesis of pharmaceuticals, piperidine nitroso radicals and pyrrolidone derivatives. For example, the oxidation of TAA or its derivatives yields the corresponding tetramethylpiperidine-N-oxide, namely TEMPO; the latter can be used as a polymerisation inhibitor, molecular weight regulator or oxidation catalyst[2].
용도2,2,6,6-Tetramethyl-4-piperidinone (cas# 826-36-8) is a compound useful in organic synthesis.
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