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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 93115
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
27676-62-6
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)-4

물성

구조 계산 물성보충 중

XLogP
12.8
극성 표면적
122 Ų
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℃

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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

Isocyanuric acidMethanol solutionPara-포름알데하이드

관련 반응

3건
반응 기록 만들기
HRID 602228 반응식
HRID 602228반응물로uspto-grants-2011_03
HRID 1975896 반응식
HRID 1975896반응물로uspto-grants-2001_05
HRID 2403076 반응식
HRID 2403076반응물로uspto-grants-2014_08

화합물 노트

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이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
1,3,5-tris[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione
-h
AN 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
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

시아누릭 산
2,6-디-t-b부틸페놀
포르말린
헥사민
메틸알콜
물