基本情報
- 標準SMILES
CCCCCCCCSc1nc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SCCCCCCCC)n1- InChIKey
QRLSTWVLSWCGBT-UHFFFAOYSA-N- 分子式
- C33H56N4OS2
- 平均分子量
- 589 g/mol
- 単同位体質量
- 588.38955477
名称と識別子
- 優先名称
- Phenol, 4-((4,6-bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-bis(1,1-dimethylethyl)-
- IUPAC
- 4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol
- 現地名
- 4-[[4,6-ビス(オクチルチオ)-1,3,5-トリアジン-2-イル]アミノ]-2,6-ジ-tert-ブチルフェノール
- 英語名
- Antioxidant 565
- 分子式
- C33H56N4OS2
- 分子量
- 588.95
名称と別名
名称をさらに表示
データベース識別子
- CAS
991-84-4- PubChem CID
- 70431
- DTXSID
DTXSID1052662- ChEBI
CHEBI:141532- UNII
- O1Q826IX7H
- EC Number
- 213-590-1
- Nikkaji
- J46.602F
物性
構造計算による物性
- XLogP
- 13.4
- 極性表面積
- 122 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 20
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 603
実験および物理化学的性質
物理化学的性質
- 融点
- 92 · 92-95 °C
- 沸点
- 670.7 · 670.7±65.0 °C(Predicted)
- 比重(密度)
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- クロロホルム(微量)、メタノール(微量)
- 外見
- 個体
- 酸解離定数(Pka)
- 12.27 · 12.27±0.70(Predicted)
- 色
- ホワイトからオフホワイト
- 化粧品成分の機能
- 抗酸化物質
- InChIKey
- QRLSTWVLSWCGBT-UHFFFAOYSA-N
- SMILES
- C1(O)=C(C(C)(C)C)C=C(NC2=NC(SCCCCCCCC)=NC(SCCCCCCCC)=N2)C=C1C(C)(C)C
- LogP
- 13.2 at · 13.2 at 25℃
- EPAの化学物質情報
- 4 · Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)- (991-84-4)
化学的性質
化学的特性Antioxidant 565 is a highly effective antioxidant. It prevents gel formation, changes to molecular weight and maintains excellent polymer color in unsaturated elastomers. This grade is highly effective at low concentrations and matches the performance of other stabilizers at higher levels. It exhibits non-staining and low volatility. It allows easy dispersion due to low melting point in elastomeric substrates using melt compounding techniques. It can be incorporated into process streams by dissolving in suitable organic solvents or aromatic extender oils.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 11.2% (184 of 1649) of reports.
H413 (88.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1649 reports by companies from 4 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 184 of 1649 reports by companies.;There are 2 notifications provided by 1465 of 1649 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-
Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)- 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: 25-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11227
Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
法規制情報
Regulatory Information
Chemical: Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-
Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)- 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: 25-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11227
Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- tsca
- TSCA listed
- hs_code
- 2933.69.6050
化学と産業
用途と製造
General Manufacturing Information
Adhesive Manufacturing;Plastics Material and Resin Manufacturing;Plastics Product Manufacturing
Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-: ACTIVE
上流・下流製品情報
上流原料
サプライヤー50 社
補足説明
定義本品は、次の化学式で表される有機化合物である。
関連反応
関連ノート
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