基本情報
- 標準SMILES
O=C(OCCOCCOC(=O)C(=O)c1ccccc1)C(=O)c1ccccc1- InChIKey
FIOCEWASVZHBTK-UHFFFAOYSA-N- 分子式
- C20H18O7
- 平均分子量
- 370.4 g/mol
- 単同位体質量
- 370.10525292
名称と識別子
- 優先名称
- Benzeneacetic acid, alpha-oxo-, 1,1'-(oxydi-2,1-ethanediyl) ester
- IUPAC
- 2-[2-(2-oxo-2-phenylacetyl)oxyethoxy]ethyl 2-oxo-2-phenylacetate
- 現地名
- イルガキュア754
- 英語名
- Benzeneacetic acid, alpha-oxo-, Oxydi-2,1-ethanediyl ester
- 分子式
- C20H18O7
- 分子量
- 370.35
名称と別名
名称をさらに表示
データベース識別子
- CAS
211510-16-6- PubChem CID
- 60004985
- DTXSID
DTXSID80905009- UNII
- Y2P98U89Q7
- EC Number
- 689-353-5
- Nikkaji
- J2.040.700J
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 96 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 12
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 470
物理化学的性質
- 融点
- -22 °C · <-22 °C
- 沸点
- 516.1 · 516.1±35.0 °C(Predicted)
- 比重(密度)
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- 屈折率
- 1.54 · 1.540-1.545
- 外見
- liquid
- 色
- Light yellow
- InChI
- InChI=1S/C20H18O7/c21-17(15-7-3-1-4-8-15)19(23)26-13-11-25-12-14-27-20(24)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2
- InChIKey
- FIOCEWASVZHBTK-UHFFFAOYSA-N
- SMILES
- O(CCOC(=O)C(=O)C1=CC=CC=C1)CCOC(=O)C(=O)C1=CC=CC=C1
- EPAの化学物質情報
- -2 · Benzeneacetic acid, .alpha.-oxo-, oxydi-2,1-ethanediyl ester (211510-16-6)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (3 of 12) of reports.
Warning
H317 (75%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Benzeneacetic-acid, alpha-oxo-, oxydi-2,1-ethanediyl este: 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
応用分野
使用Photoinitiator 754, also known as 2,4,6-Trimethylbenzoyldiphenylphosphine oxide, is a versatile compound widely used in various industrial applications, particularly in photopolymerization processes.
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