Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)

HCID 64870CAS 35074-77-2

기본 정보

표준 SMILES
CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIKey
ZVVFVKJZNVSANF-UHFFFAOYSA-N
분자식
C40H62O6
평균 분자량
638.9 g/mol
단동위원소 질량
638.4546397

이름 및 식별자

우선 이름
Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
IUPAC
6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
영어명
Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
분자식
C40H62O6
분자량
638.92

이름 및 동의어

35074-77-2Irganox 259Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]Irganox 249Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl esterEINECS 252-346-9U7W3Z36N61ANTIOXIDANT 2591,6-Hexamethylenebis(3,5-tert-butyl-4-hydroxyhydrocinnamate)Hexamethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)DTXSID0027985
이름 더 보기
irganox249Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)Hexanediol bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoateHexamethylenbis[3-(3,5-di-tert.-butyl-4-hydroxyphenyl)propionat]1,6-hexanediyl3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoateHexane-1,6-diol bis[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
EC 252-346-91,6-hexanediol bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]Hexamethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)1,6-Hexanediyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoateBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester1,6-Hexanediyl bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamte)1,6-hexanediol bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)HEXAMETHYLENE 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE

데이터베이스 식별자

CAS
35074-77-2
PubChem CID
64870
DTXSID
DTXSID0027985
UNII
U7W3Z36N61
EC Number
252-346-9
Nikkaji
J46.618B

물성

구조 계산 물성

XLogP
11.2
극성 표면적
93.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
19
무거운 원자 수
46

실험 및 물리화학적 성질

Food Contact Substances · 2건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physical DescriptionOther Solid

물리화학적 성질

녹는점
102 · 102-105°C
끓는 점
648.1 · 648.1±55.0 °C(Predicted)
밀도
1.032 · 1.032±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
12.03 · 12.03±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 73.6% (298 of 405) of all reports.

Warning

H336 (14.8%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

P261, P271, P273, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 405 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl ester

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester 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: 07-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16505

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSTOT SE 3 (14.8%)

안전 데이터

tsca
TSCA listed
기존화학 물질
KE-03068

화학 및 산업

용도 및 제조

U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesReducing agent
Industry UsesReducing agent
General Manufacturing Information · 2건

Plastics Product Manufacturing

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester: ACTIVE

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

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