기본 정보
- CAS
70331-94-1- 표준 SMILES
CC(C)(C)c1cc(CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
OXWDLAHVJDUQJM-UHFFFAOYSA-N- 분자식
- C40H60N2O8
- 평균 분자량
- 696.9 g/mol
- 단동위원소 질량
- 696.43496688
개요
Antioxidant is a group of organic or inorganic substances capable of preventing the genotoxic and carcinogenic effects of free-radical compounds. Antioxidants bind to and neutralize ('scavenge') free radicals, thereby transforming them into non-toxic compounds and blocking their genotoxic and carcinogenic effects. This class of agents includes the vitamins C and E, the carotenoids, and selenium. Organic antioxidants are found in high concentrations in fruits, seeds and vegetables.
이름 및 식별자
- 우선 이름
- 2,2'-Oxamidobis(ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
- IUPAC
- 2-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
- 현지명
- 나우가드 XL-1
- 영어명
- Antioxidant MD-697
- 분자식
- C40H60N2O8
- 분자량
- 696.91
이름 및 동의어
70331-94-1Naugard XL-1Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester2,2'-OXAMIDOBIS(ETHYL 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE)2,2'-Oxamidobis[ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]RefChem:391290274-572-7(Oxalylbis(azanediyl))bis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)ANTIOXIDANT MD-697(1,2-Dioxoethylene)bis(iminoethylene) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)MFCD019408802-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
이름 더 보기
나우가드 XL-1(1,2-디옥소에틸렌)비스(이미노에틸렌)비스(3-(3,5-디-tert-부틸-4-히드록시페닐)프로피오네이트)3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) esterbis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)(1,2-Dioxoethylen)bis(iminoethylen)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionat]
물성
구조 계산 물성
- XLogP
- 8.8
- 극성 표면적
- 151 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 990
실험 및 물리화학적 성질
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder
물리화학적 성질
- 녹는점
- 178 °C · 178 °C
- 밀도
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.48 · 11.48±0.46(Predicted)
- 색상
- 흰색에서 황백색까지
- 냄새
- 녹색 건조 우디 과일 꽃
- 수용성
- 1.5 μg/L · 1.5μg/L at 20℃
- InChIKey
- OXWDLAHVJDUQJM-UHFFFAOYSA-N
- SMILES
- C(NCCOC(=O)CCC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)(=O)C(NCCOC(=O)CCC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)=O
- LogP
- 8.1 at · 8.1 at 35℃
- EPA
- 3 · Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester (70331-94-1)
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 46.5% (20 of 43) of reports.
H412 (34.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 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-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester
Hazard Traits - Bioaccumulation; Environmental Persistence
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)] 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'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)] 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: (1,2-dioxoethylene)bis(iminoethylene) bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] (EC: 274-572-7)
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 3 (34.9%)
안전 데이터
화학 및 산업
용도 및 제조
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesAntioxidant
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Plastics Material and Resin Manufacturing
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)] ester: ACTIVE
응용 분야
용도Antioxidant MD-697 is used as an excellent stabilizer for polyolefin, polyurethane, ABS resin and other material products and communication cables.
공급사100 곳
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州景优化工有限公司87211835 13957193240 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
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