基本情報
- CAS
70331-94-1- 標準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- 分子式
- C40H60N2O8
- 平均分子量
- 696.9 g/mol
- 単同位体質量
- 696.43496688
概要
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.
名称と識別子
- 優先名称
- 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
- 現地名
- N,N'-ビス[2-[2-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)エチルカルボニルオキシ]エチル]オキサミド
- 英語名
- Antioxidant MD-697
- 分子式
- C40H60N2O8
- 分子量
- 696.91
名称と別名
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
名称をさらに表示
ナウガードXL-1N,N'-ビス[2-[2-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)エチルカルボニルオキシ]エチル]オキサミドN，N’-ビス｛2-［2-（3，5-ジ-tert-ブチル-4-ヒドロキシフェニル）エチルカルボニルオキシ］エチル｝オキサミドビス[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロパン酸][オキサリルビス(アザンジイル)]ビス(エタン-2,1-ジイル)NAUGARD® XL-1
物性
構造計算による物性
- XLogP
- 8.8
- 極性表面積
- 151 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 18
- 重原子数
- 50
- 形式電荷
- 0
- 複雑度
- 990
実験および物理化学的性質
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder
物理化学的性質
- 融点
- 178 °C · 178 °C
- 比重(密度)
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- クロロホルム（微量）、酢酸エチル（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- 11.48 · 11.48±0.46(Predicted)
- 色
- ホワイトからオフホワイト
- 臭い (Odor)
- グリーン ドライ ウッディ フルーティ フローラル
- 水溶解度
- 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の化学物質情報
- 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)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全データ
化学と産業
用途と製造
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
応用分野
使用Antioxidant MD-697 is used as an excellent stabilizer for polyolefin, polyurethane, ABS resin and other material products and communication cables.
サプライヤー100 社
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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