Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
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기본 정보
- CAS
35074-77-2- 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 물성보충 중
- 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
- 형식 전하
- 0
- 복잡도
- 805
실험 및 물리화학적 성질
Food Contact Substances
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)
- 물리적 상태
- 고체
- 색상
- 회백색
- EPA
- 1 · 1,6-Hexanediyl bis[3,5-di-tert-butyl-4-hydroxyhydrocinnamte] (35074-77-2)
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 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
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
- HS 번호
- 2918290000
- 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
Plastics Product Manufacturing
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester: ACTIVE
관련 반응
1건
화합물 노트
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