CAS 1709-70-2 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene (HCID 74370)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1709-70-2
표준 SMILES: Cc1c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey: VSAWBBYYMBQKIK-UHFFFAOYSA-N
분자식: C54H78O3
평균 분자량: 775.2 g/mol
단동위원소 질량: 774.59509636

개요

structure

이름 및 식별자

우선 이름: 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
IUPAC: 4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol
현지명: 1,3,5-트리메틸-2,4,6-트리스(3,5-다이-터셔리-부틸-4-하이드록시벤질)벤젠
영어명: Antioxidant 1330
분자식: C54H78O3
분자량: 775.2

이름 및 동의어

1709-70-2Ionox 3301,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzeneIrganox-1330Ionox-3302,4,6-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)mesitylene51DM34B894DTXSID6027428Phenol, 4,4',4''-((2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene))tris(2,6-bis(1,1-dimethylethyl)-Phenol, 4,4',4''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)-RefChem:412654DTXCID307428

이름 더 보기

1,3,5-트리메틸-2,4,6-트리스(3,5-다이-터셔리-부틸-4-하이드록시벤질)벤젠1,3,5-트리메틸-2,4,6-트리스(3,5-디-T-부틸-4-히드록시벤질)벤젠1,3,5-트리메틸-2,4,6-트리스(3,5-디-T-뷰틸-4-하이드록시벤질)벤젠1,3,5-트리메틸-2,4,6-트리스(3,5-디-T-뷰틸-4-하이드록시벤질)벤젠(1,3,5-TRIMETHYL-...트리스-비에이치티메시틸렌안티옥시단트 330ao-40AO-1330ethanox330tris-BHT mesityleneahydolAt 1330ionox330

4,4',4''-((2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene))tris (2,6-bis(1,1-dimethylethyl))phenolAntioxidant 330Irganox 1330Antioxidant 40Agidol 40Ethanox 330Irganox 330Ethyl 330

물성

구조 계산 물성

XLogP: 17.7
극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 12
무거운 원자 수: 57
형식 전하: 0
복잡도: 1,030

실험 및 물리화학적 성질

Polymers · 3건

Plastics -> Other functions -> Other stabiliser

Plastics -> Antioxidants

Plastics -> Polyolefin-I; Polyolefin-II; PA

Endocrine DisruptorsPotential endocrine disrupting compound

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

Physical DescriptionLarge Crystals; Dry Powder; Other Solid

물리화학적 성질

녹는점: 248 · 248-250 °C(lit.)
끓는 점: 739.54 °C · 739.54°C (rough estimate)
밀도: 0.8883 · 0.8883 (rough estimate)
굴절률: 1.58 · 1.5800 (estimate)
인화점: 321 ℃ · 321℃
저장 조건: 2 · 2-8°C
용해도: 클로로포름 (약간 용해됨), 메탄올(매우 소량, 가열, 초음파 처리)
산도 계수 (pKa): 11.91 · 11.91±0.40(Predicted)
물리적 상태: Solid
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 69.9% (344 of 492) of all reports.

H413 (21.3%): 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 492 reports by companies from 10 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Phenol, 4,4',4''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)-

Phenol, 4,4',4''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4',4''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[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)

Status: Active Update: 08-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14678

Phenol, 4,4',4''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[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 (21.3%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: DC3750000
독성: LD50 oral in rat: 1500mg/kg
HS 번호: 2907299000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

용도 및 제조

UsesPlastics -> Typical concentration range in plastic materials -> 0.5 - 2.5%

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesAntioxidant

Industry UsesOther

Use Classification · 3건

Plastics -> Antioxidants

Plastics -> Other functions -> Other stabiliser

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

General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing

Phenol, 4,4',4''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)-: ACTIVE

응용 분야

용도Antioxidant for polypropylene, high-density polyethylene, spandex fibers, polyamides, and specialty rubbers.

일반 설명1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene(HEMA) is an antioxidant that can be used to prevent the oxidative degradation of plastics.