基本情報
- CAS
34137-09-2- 標準SMILES
CC(C)(C)c1cc(CCC(=O)OCCn2c(=O)n(CCOC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(CCOC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(C)(C)C)c1O- InChIKey
MQRCHVBRBGNZGJ-UHFFFAOYSA-N- 分子式
- C60H87N3O12
- 平均分子量
- 1,042.3 g/mol
- 単同位体質量
- 1,041.62897522
名称と識別子
- 優先名称
- 3,5-Di-tert-butyl-4-hydroxyhydrocinnamic acid triester with 1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 2-[3,5-bis[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
- 現地名
- 1,3,5-トリス[2-[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロパノイルオキシ]エチル]ヘキサヒドロ-1,3,5-トリアジン-2,4,6-トリオン
- 英語名
- 3,5-DI-TERT-BUTYL-4-HYDROXY-HYDROCINNAMIC ACID TRIESTER OF 1,3,5-TRIS(2-HYDROXYETHYL)-S-TRIAZINE-2,4,6-(1H,3H,5H)-TRIONE
- 分子式
- C60H87N3O12
- 分子量
- 1042.35
名称と別名
H072P68KR43,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMIC ACID TRIESTER WITH 1,3,5-TRIS(2-HYDROXYETHYL)-S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONEBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl esterBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1',1''-((2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl) ester1,3,5-TRIS((3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONYLOXYETHYL) ISOCYANURATETRIS(2-HYDROXYETHYL) ISOCYANURATE TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE)(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)triethylene tris(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)triethylene tris[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]HYDROCINNAMIC ACID, 3,5-DI-TERT-BUTYL-4-HYDROXY-, TRIESTER WITH 1,3,5-TRIS(2-HYDROXYETHYL)-S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONES-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS(2-HYDROXYETHYL)-, TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE) (ESTER)
物性
構造計算による物性
- XLogP
- 13.7
- 極性表面積
- 201 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 12
- 回転可能結合数
- 27
- 重原子数
- 75
- 形式電荷
- 0
- 複雑度
- 1,630
実験および物理化学的性質
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
物理化学的性質
- 沸点
- 922 · 922.0±65.0 °C(Predicted)
- 比重(密度)
- 1.134 · 1.134±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 11.85 · 11.85±0.40(Predicted)
- EPAの化学物質情報
- 2 · (2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl tris[3,5-di-tert-butyl-4-hydroxyhydrocinnamate] (34137-09-2)
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 100% (127 of 127) of all reports.
Not Classified
Aggregated GHS information provided per 127 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl ester
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing InformationBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1',1''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl] ester: ACTIVE
サプライヤー10 社
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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