基本情報
- 標準SMILES
CC(c1ccccc1)c1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1- InChIKey
BYLSIPUARIZAHZ-UHFFFAOYSA-N- 分子式
- C30H30O
- 平均分子量
- 406.6 g/mol
- 単同位体質量
- 406.22966558
名称と識別子
- 優先名称
- 2,4,6-Tris(1-phenylethyl)phenol
- IUPAC
- 2,4,6-tris(1-phenylethyl)phenol
- 現地名
- 2,4,6-トリ(α-メチルベンジル)フェノール
- 英語名
- 2,4,6-tris(1-phenylethyl)phenol
- 分子式
- C30H30O
- 分子量
- 406.56
名称と別名
名称をさらに表示
データベース識別子
- CAS
18254-13-2- PubChem CID
- 86688
- DTXSID
DTXSID30864819- UNII
- 089S50Y5DU
- EC Number
- 242-128-1
- Nikkaji
- J3.452E
物性
構造計算による物性
- XLogP
- 8.3
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 6
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 477
実験および物理化学的性質
物理化学的性質
- 沸点
- 242 · 242-258 °C
- 比重(密度)
- 1.0858 g/cm3 · 1.0858 g/cm3
- 酸解離定数(Pka)
- 10.42 · 10.42±0.10(Predicted)
- EPAの化学物質情報
- 2 · Phenol, 2,4,6-tris(1-phenylethyl)- (18254-13-2)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 99.1% (112 of 113) of all reports.
Not Classified
Aggregated GHS information provided per 113 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Phenol, 2,4,6-tris(1-phenylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,4,6-tris(1-phenylethyl)- 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)
REACH registered substance: 2,4,6-tris(1-phenylethyl)phenol (EC: 242-128-1)
Phenol, 2,4,6-tris(1-phenylethyl)-: 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.
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Phenol, 2,4,6-tris(1-phenylethyl)-: ACTIVE
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関連反応
関連ノート
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