基本情報
- 標準SMILES
CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1- InChIKey
GPNYZBKIGXGYNU-UHFFFAOYSA-N- 分子式
- C25H36O2
- 平均分子量
- 368.6 g/mol
- 単同位体質量
- 368.27153039
名称と識別子
- 優先名称
- 2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
- IUPAC
- 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
- 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)
- 英語名
- 2,2′-Methylenebis(6-tert-butyl-4-ethylphenol)
- 分子式
- C25H36O2
- 分子量
- 368.55
名称と別名
名称をさらに表示
データベース識別子
- CAS
88-24-4- PubChem CID
- 6928
- DTXSID
DTXSID7038864- ChEMBL
CHEMBL3182523- UNII
- RZW97F6CTS
- EC Number
- 201-814-0
- Nikkaji
- J34.563F
物性
構造計算による物性
- XLogP
- 8.1
- 極性表面積
- 40.5 Ų
- 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
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
Physical Description
Dry Powder
Pale cream to white free flowing powder with a phenolic odor; [MSDSonline]
物理化学的性質
- 融点
- 119 · 119-122 °C(lit.)
- 沸点
- 458.86 °C · 458.86°C (rough estimate)
- 比重(密度)
- 1.01 · 1.010
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.4894 · 1.4894 (estimate)
- 貯蔵温度
- 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)
- 11.37 · 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
- 8.95 at · 8.95 at 20℃
- CAS データベース
- 88 · 88-24-4(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2,2'-Methylenebis[6-(tert-butyl)-4-ethylphenol] (88-24-4)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 48.7% (57 of 117) of reports.
Warning
H315 (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.
危険有害性情報
Regulatory Information
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/20809
Phenol, 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.
毒性情報
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.
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SL9800000
- 毒性
- LD50 oral in rat: > 10gm/kg
- hs_code
- 29072990
- risk_code
- 36/37/38
- 化審法
- (4)-93
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 88-24-4(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used as an antioxidant; [HSDB]
ANTIOXIDANT
General Manufacturing Information
Adhesive Manufacturing
Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-: ACTIVE
DURING BLOOD ANAL OF DELTA1-TETRAHYDROCANNABINOL, AN ANTIOXIDANT CONTAMINANT 2, 2'-METHYLENEBIS[6-(1,1-DIMETHYLETHYL)-4-ETHYLPHENOL-] WAS ISOLATED FROM CERTAIN STOPPERS FOLLOWING C5H12 EXTRACTION.
応用分野
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
上流・下流製品情報
上流原料
サプライヤー50 社
関連反応
関連ノート
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