1,3,5-트리스(3,`5`-디-t-부틸-4`-하이드록시벤질)-sec-트리아진-2,4,6-(1H,3H,5H)트리온

Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate

HCID 93115CAS 27676-62-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)c1cc(Cn2c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(C)(C)C)c1O
InChIKey: VNQNXQYZMPJLQX-UHFFFAOYSA-N
분자식: C48H69N3O6
평균 분자량: 784.1 g/mol
단동위원소 질량: 783.51863693

이름 및 식별자

우선 이름: Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
IUPAC: 1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
현지명: 1,3,5-트리스(3,`5`-디-t-부틸-4`-하이드록시벤질)-sec-트리아진-2,4,6-(1H,3H,5H)트리온
영어명: Antioxidant3114
분자식: C48H69N3O6
분자량: 784.08

이름 및 동의어

27676-62-6Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanuratePlastic additive 6EINECS 248-597-9680V3MP8YT1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-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((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-EC 248-597-9PLASTIC ADDITIVE 6 [USP-RS]1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazine-2,4,6(1h,3h,5h)-triones-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-

이름 더 보기

1,3,5-트리스(3,`5`-디-t-부틸-4`-하이드록시벤질)-sec-트리아진-2,4,6-(1H,3H,5H)트리온트리(3,5-디-터트-부틸-4-히드록시벤질)이소시눌산염트리(3,5-디-터트-뷰틸-4-하이드록시벤질)아이소시눌산염트리(3,5-디-터트-뷰틸-4-하이드록시벤질)아이소시눌산염(TRIS(3,5-DI-tert-BUTYL-4-HYDR...IRGANOX 3114TTICAO-3114Thanox31141,3,5-triazine-2,4,6(1h,3h,5h)-trione,1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-41,3,5-tris[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione-hAN 3114

1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate1,3,5-TRI(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL) ISOCYANURATE1,3,5-TRIS(4-HYDROXY-3,5-DI-TERT-BUTYLBENZYL)CYANURIC ACIDPLASTIC ADDITIVE 6 (USP-RS)1,3,5-TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)-S-TRIAZINETRIONE1,3,5-TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)(1,3,5)TRIAZIN-2,4,6-TRIONERefChem:9002191,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione

데이터베이스 식별자

CAS: 27676-62-6
PubChem CID: 93115
DTXSID: DTXSID0027935
UNII: 680V3MP8YT
EC Number: 248-597-9
Nikkaji: J52.299F

물성

구조 계산 물성

XLogP: 12.8
극성 표면적: 122 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 12
무거운 원자 수: 57
형식 전하: 0
복잡도: 1,170

실험 및 물리화학적 성질

Polymers · 3건

Plastics -> Polyolefin-I; Polyolefin-II; ABS

Plastics -> Antioxidants

Plastics -> Other functions -> Other stabiliser

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionDry Powder; Other Solid; CBI; Dry Powder; Large Crystals

물리화학적 성질

녹는점: 218 · 218-220 °C(lit.)
끓는 점: 757.9 · 757.9±60.0 °C(Predicted)
밀도: 1.03 g/cm3 · 1.03g/cm3
증기압: 0 Pa · 0Pa at 25℃
인화점: 289 °C · 289°C
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간), 에틸아세테이트(약간, 가열), 메탄올(약간, 가열)에 용해됨
물리적 상태: solid
산도 계수 (pKa): 11.45 · 11.45±0.40(Predicted)
색상: 흰색에서 황백색까지
수용성: 40 μg/L · 40μg/L at 20℃
Henry's Law Constant: 6.1 · 6.1×1020 mol/(m3Pa) at 25℃, Zhang et al. (2010)
주요 응용: 의약품(소분자)
InChIKey: VNQNXQYZMPJLQX-UHFFFAOYSA-N
SMILES: N1(CC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)C(=O)N(CC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)C(=O)N(CC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)C1=O
LogP: 15.18 · 15.18
EPA: 1 · 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]- (27676-62-6)

화학적 성질

White to Light yellow powder to crystal

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (282 of 282) of all reports.

Not Classified

Aggregated GHS information provided per 282 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]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[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]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)

Status: Active Update: 17-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14358

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: -
tsca: TSCA listed
HS 번호: 2933690000
기존화학 물질: KE-34792
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesPlastics -> Typical concentration range in plastic materials -> 0.4 - 0.8%

U.S. Production2023: 2,500,000 - <4,000,000 lb

Consumer UsesOther

Industry UsesNot Known or Reasonably Ascertainable

Use Classification · 3건

Plastics -> Antioxidants

Plastics -> Other functions -> Other stabiliser

Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; ABS

General Manufacturing Information · 2건

Adhesive Manufacturing

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-: ACTIVE

응용 분야 · 2건

용도Tris(3,5-di-tert-butyl-4-hydroxybenzyl) Isocyanurate(Antioxidant3114) is used an as antioxidant-stabilizer in polyolefin films intended for packaging nonfatty food as well as an antioxidant in propylene copolymers.

일반 설명Antioxidant 3114, chemically known as Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate, serves as an effective antioxidant and UV stabilizer. It is extensively utilized in various materials including polyethylene, polypropylene, polystyrene, ABS resin, polyester, nylon, polyurethane, rubber, adhesives, petroleum resins, coatings, and oils. Additionally, it functions as a free radical scavenger to enhance the stability of polyolefins.

상·하류 제품 정보

상류 원료

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

杭州景优化工有限公司87211835 13957193240 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

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