다이-t-부틸하이드록시페닐아미노비스옥틸티오트라이아진
Phenol, 4-((4,6-bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-bis(1,1-dimethylethyl)-
기본 정보
- CAS
991-84-4- 표준 SMILES
CCCCCCCCSc1nc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SCCCCCCCC)n1- InChIKey
QRLSTWVLSWCGBT-UHFFFAOYSA-N- 분자식
- C33H56N4OS2
- 평균 분자량
- 589 g/mol
- 단동위원소 질량
- 588.38955477
개요
4-((4,6-bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-di-tert-butylphenol is a member of triazines.
이름 및 식별자
- 우선 이름
- Phenol, 4-((4,6-bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-bis(1,1-dimethylethyl)-
- IUPAC
- 4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol
- 현지명
- 다이-t-부틸하이드록시페닐아미노비스옥틸티오트라이아진
- 영어명
- Antioxidant 565
- 분자식
- C33H56N4OS2
- 분자량
- 588.95
이름 및 동의어
991-84-4Irganox 565Irganox RA 5652,4-Bis(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazineNSC 328455O1Q826IX7HTINOGARD MD1EINECS 213-590-1IRGANOX 565 RANSC-3284552,6-Di-tert-butyl-4-(4,6-bis(octylthio)-1,3,5-triazin-2-ylamino)phenolEC 213-590-1
이름 더 보기
다이-t-부틸하이드록시페닐아미노비스옥틸티오트라이아진UVA-AOAO-565IRGANDX565DDAntioxidant 25Antioxidant 565antioxidant AN 565Antioxidant AO-2365
Phenol, 4-((4,6-bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-bis(1,1-dimethylethyl)-4-((4,6-bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-bis(1,1-dimethylethyl)-phenolPhenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-DI-T-BUTYL HYDROXYPHENYLAMINO BISOCTYLTHIOTRIAZINE4-((4,6-bis(octylthio)-s-triazin-2-yl)amino)-2,6-di-tert-butylphenolPhenol, 4-((4,6-bis(octylthio)-s-triazin-2-yl)amino)-2,6-di-tert-butyl-4-((4, 6-BIS(OCTYLTHIO)6-BIS(OCTYLTHIO)6-BIS(OCTYLTHIO)-S-TRIAZIN-2-YL)AMINO)-2,6-DI-TERT-BUTYLPHENOLRefChem:861174
물성
구조 계산 물성
- XLogP
- 13.4
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 603
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLarge Crystals; Other Solid; Large Crystals; Dry Powder
물리화학적 성질
- 녹는점
- 92 · 92-95 °C
- 끓는 점
- 670.7 · 670.7±65.0 °C(Predicted)
- 밀도
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.27 · 12.27±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- 화장품 원료 기능
- 항산화제
- InChIKey
- QRLSTWVLSWCGBT-UHFFFAOYSA-N
- SMILES
- C1(O)=C(C(C)(C)C)C=C(NC2=NC(SCCCCCCCC)=NC(SCCCCCCCC)=N2)C=C1C(C)(C)C
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 11.2% (184 of 1649) of reports.
H413 (88.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1649 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-
Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)- 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)
REACH registered substance: 2,6-di-tert-butyl-4-(4,6-bis(octylthio)-1,3,5-triazin-2-ylamino)phenol (EC: 213-590-1)
Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 4 (88.8%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2933699090
- 기존화학 물질
- KE-03383
화학 및 산업
용도 및 제조
U.S. Production2023: 250,000 - <400,000 lb
Consumer UsesAntioxidant
Industry UsesOther
General Manufacturing Information
Adhesive Manufacturing
Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-: ACTIVE
상·하류 제품 정보
상류 원료
관련 반응
2건
화합물 노트
불러오는 중…