트리스(4-터셔리-부틸-3-하이드록시-2,6-디메틸벤질) 이소시아누레이트
1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
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기본 정보
- CAS
40601-76-1- 표준 SMILES
Cc1cc(C(C)(C)C)c(O)c(C)c1Cn1c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c1=O- InChIKey
XYXJKPCGSGVSBO-UHFFFAOYSA-N- 분자식
- C42H57N3O6
- 평균 분자량
- 699.9 g/mol
- 단동위원소 질량
- 699.42473655
이름 및 식별자
- 우선 이름
- 1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
- 현지명
- 트리스(4-터셔리-부틸-3-하이드록시-2,6-디메틸벤질) 이소시아누레이트
- 영어명
- Antioxidant 1790
- 분자식
- C42H57N3O6
- 분자량
- 699.92
이름 및 동의어
Cyanox 1790Cynomix 1790ADK-ARKLS DH 48253H13NWCQ1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-Tris((4-tert-butyl-3-hydroxy-2,6-xylyl)methyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris((4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl)methyl)-1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6(1h,3h,5h)-trione1,3,5-tris(2,6-dimethyl-4-tert-butyl-3-hydroxybenzyl) isocyanurate1,3,5-TRIS(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL) ISOCYANURATE1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanuric acid
이름 더 보기
1,3,5-트리스((4-(1,1-다이메틸에틸)-3-하이드록시-2,6-다이메틸페닐)메틸)-1,3,5-트리아진-2,4,6-(1h,3h,5h)-트리온트리스(4-터셔리-부틸-3-하이드록시-2,6-디메틸벤질)이소시아누레이트1,3,5-트리스((4-(1,1-다이메틸에틸)-3-하이드록시-2,6-다이메틸페닐)메틸)-1,3,5-트리아진-2,...
물성
구조 계산 물성보충 중
- XLogP
- 10
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,090
실험 및 물리화학적 성질
Polymers
Plastics -> PUR
Plastics -> Antioxidants
FragrancesFragrance Ingredient (1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-) -> IFRA transparency List
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder; Large Crystals; Dry Powder
물리화학적 성질
- 녹는점
- 163 · 163-165 °C(lit.)
- 끓는 점
- 793.8 · 793.8±60.0 °C(Predicted)
- 밀도
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 아세토니트릴(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 11.36 · 11.36±0.28(Predicted)
- 물리적 상태
- 고체
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 22.4% (108 of 482) of reports.
H413 (69.3%): 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 482 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]- 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: 1,3,5-tris[[4-tert-butyl-3-hydroxy-2,6-xylyl]methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (EC: 254-996-9)
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenylmethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAquatic Chronic 4 (69.3%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- HS 번호
- 29336990
- risk_code
- 36/37/38
- hazard_code
- Xi
화학 및 산업
용도 및 제조
U.S. Production2023: 550,000 - <1,000,000 lb
Consumer UsesUV stabilizer
Industry UsesAntioxidant
Use Classification
Fragrance Ingredients
Plastics -> Polymer Type -> PUR
Plastics -> Antioxidants
General Manufacturing Information
Plastics Material and Resin Manufacturing
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-: ACTIVE
응용 분야
개요Antioxidant 1790, the appearance is white to off-white powder , Purity ≥95% . Antioxidant 1790 is a kind of hindered phenol primary antioxidant, It can be used in polypropylene, polyamide, ABS resin,polystyrene,elastic fiber, PE PP food package as USA FDA regulation .
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