化工社化工社 化学情報印刷レポート · 研究参考用
2,2'-メチレンビス(6-tert-ブチル-4-エチルフェノール)
2,2'-メチレンビス(6-tert-ブチル-4-エチルフェノール) · 抗酸化剤425 · 2,2'-メチレンビス(4-エチル-6-tert-ブチルフェノール) · プラスタノックス425 · 6,6'-メチレンビス(2-tert-ブチル-4-エチルフェノール) · プラスタノックス425酸化防止剤 · アンチオキシダント425 · プラスタノックス-425抗酸化剤
識別子と物理属性
| CAS No. | 88-24-4 |
|---|---|
| 分子式 | C25H36O2 |
| 平均分子量 | 368.6 g/mol |
| 単同位体質量 | 368.27153039 g/mol |
| SMILES | CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 |
| InChIKey | GPNYZBKIGXGYNU-UHFFFAOYSA-N |
| PubChem CID | 6928 |
| ChEMBL | CHEMBL3182523 |
| EC No. | 201-814-0 |
| DTXSID | DTXSID7038864 |
| 現地名 | 2,2'-メチレンビス(6-tert-ブチル-4-エチルフェノール) |
化学・物理的性質
| XLogP | 8.1 |
|---|---|
| 極性表面積 | 40.5 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 6 |
| 重原子数 | 27 |
| 形式電荷 | 0 |
| 複雑度 | 416 |
| 物質分類 | Other Classes -> Other Aromatic Compounds |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Dry PowderPale cream to white free flowing powder with a phenolic odor[MSDSonline] |
| Collision Cross Section | 203.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7038864] |
| 融点 | 119-122 °C(lit.) |
| 沸点 | 458.86°C (rough estimate) |
| 密度 | 1.010 |
| 蒸気圧 | 0Pa at 25℃ |
| 屈折率 | 1.4894 (estimate) |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 溶解度 | クロロホルム（微量）、メタノール（微量） |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | 11.37±0.48(Predicted) |
| 色 | ホワイトからオフホワイト |
| InChI | InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3 |
| InChIKey | GPNYZBKIGXGYNU-UHFFFAOYSA-N |
| SMILES | C(C1=CC(CC)=CC(C(C)(C)C)=C1O)C1=CC(CC)=CC(C(C)(C)C)=C1O |
| LogP（分配係数） | 8.95 at 20℃ |
| CAS データベース | 88-24-4(CAS DataBase Reference) |
| EPAの化学物質情報 | 2,2'-Methylenebis[6-(tert-butyl)-4-ethylphenol] (88-24-4) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 48.7% (57 of 117) of reports.WarningH315 (35.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 117 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Phenol, 2,2â²-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl- 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: 27-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20809Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 有害性の概要 | A reproductive effectorCauses changes in motor activity in lethal-dose feeding studies of rats[RTECS] An irritant[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (35.9%) |
| Non-Human Toxicity Excerpts | HEPATIC LIPIDS WERE STUDIED IN SPRAGUE-DAWLEY MALE RATS GIVEN, 2,2'- METHYLENEBIS(4-ETHYL-6-TERT-BUTYLPHENOL), AT LEVEL OF 1.135 MMOL% FOR 1 WK. IT INDUCED FATTY LIVER & INCR TRIGLYCERIDE, DIGLYCERIDE & CHOLESTERYL-ESTER CONCN. ALSO PRODUCED CHANGE IN LIVER LIPIDS. |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | SL9800000 |
| 毒性 | LD50 oral in rat: > 10gm/kg |
用途
用途
2,2'-メチレンビス-(4-エチル-6-t-ブチルフェノールは、樹脂添加剤?樹脂用薬剤のフェノ－ル系酸化防止剤です。 フェノ－ル系酸化防止剤として、耐候性を要する樹脂のほか、ABS、ラテックス、PVCにも使用される樹脂添加剤?樹脂用薬剤です。
使用
Antioxidant