基本情報
- 標準SMILES
Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1- InChIKey
GUCYFKSBFREPBC-UHFFFAOYSA-N- 分子式
- C26H27O3P
- 平均分子量
- 418.5 g/mol
- 単同位体質量
- 418.16978135
名称と識別子
- 優先名称
- Bis-trimethylbenzoyl phenylphosphine oxide
- IUPAC
- [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
- 現地名
- フェニルビス(2,4,6-トリメチルベンゾイル)ホスフィンオキシド
- 英語名
- Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide
- 分子式
- C26H27O3P
- 分子量
- 418.47
名称と別名
名称をさらに表示
データベース識別子
- CAS
162881-26-7- PubChem CID
- 164512
- DTXSID
DTXSID8044597- ChEMBL
CHEMBL3182971- UNII
- JOV61FMS35
- EC Number
- 423-340-5、605-307-9
- Nikkaji
- J1.013.677F
物性
構造計算による物性
- XLogP
- 6
- 極性表面積
- 51.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 610
実験および物理化学的性質
物理化学的性質
- 融点
- 131 · 131-135 °C(lit.)
- 沸点
- 590 · 590.0±60.0 °C(Predicted)
- 比重(密度)
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- アセトン、アセトニトリル、トルエン、およびヘキサンジオールジアクリレート: 可溶
- 外見
- 粉
- 色
- 淡い黄色から黄色
- 水溶解度
- 100 μg/L · 100μg/L at 20-21℃
- 化粧品成分の機能
- 光安定剤
- InChI
- InChI=1S/C26H27O3P/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6/h7-15H,1-6H3
- InChIKey
- GUCYFKSBFREPBC-UHFFFAOYSA-N
- SMILES
- P(C1C=CC=CC=1)(=O)(C(C1C(=CC(C)=CC=1C)C)=O)C(C1C(=CC(C)=CC=1C)C)=O
- LogP
- 5.77 · 5.77-5.8 at 22℃
- CAS データベース
- 162881 · 162881-26-7
- EPAの化学物質情報
- Phosphine oxide, phenylbis(2,4,6-trimethylbenzoyl)- (162881-26-7)
安全と法規制
GHS分類
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.1% (1 of 776) of reports.
Warning
H317 (99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
危険有害性情報
Regulatory Information
Chemical: Methanone, 1,1â²-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)-
Methanone, 1,1'-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, 1,1'-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11625
Phosphine oxide, phenylbis(2,4,6-trimethylbenzoyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1 (99.9%)
Skin Sens. 1 (99.8%)
Skin sensitisation - category 1A
Skin sensitization - Category 1A
Skin Sens. 1A
安全データ
- wgk
- -
- tsca
- TSCA listed
- hs_code
- 29319090
- risk_code
- 43-53
- 化審法
- (3)-4445
- hazard_code
- Xi
- safety_code
- 22-24-37-61
- Hazard Classifications
- Aquatic Chronic 4Skin Sens. 1
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
General Manufacturing Information
Adhesive Manufacturing
Methanone, 1,1'-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)-: ACTIVE
応用分野
使用Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide is a useful research chemical compound.
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。
定義Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide (PPO) has a local absorption maximum in the visible spectrum at 405 nm and could provide sufficient initiating radicals to crosslink polyamic diacrylate ester in NMP[1]. Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide (GR-XBPO) could be used as the reductant, and Monoethanolamine as the oxygen inhibition agent. After UV irradiation, oxygen-containing groups (OCGs) on the graphene oxide (GO) plane and edges are largely removed due to the reduction of GO by free radicals generated by photoinitiator decomposition[2].
関連反応
関連ノート
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