基本情報
- CAS
2146-36-3- 標準SMILES
C1CC2CCCC3CCC(C1)C23- InChIKey
FZDZWLDRELLWNN-UHFFFAOYSA-N- 分子式
- C12H20
- 平均分子量
- 164.29 g/mol
- 単同位体質量
- 164.15650064
名称と識別子
- 優先名称
- Acenaphthylene, dodecahydro-
- IUPAC
- 1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
- 現地名
- ドデカヒドロアセナフチレン
- 英語名
- perhydroacenaphthene
- 分子式
- C12H20
- 分子量
- 164.29
名称と別名
名称をさらに表示
データベース識別子
- CAS
2146-36-3- PubChem CID
- 102215
- DTXSID
DTXSID10883801- EC Number
- 218-412-6
- Nikkaji
- J298.732E
物性
構造計算による物性
- XLogP
- 4.9
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 0
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 155
実験および物理化学的性質
物理化学的性質
- 融点
- 36 ℃ · 36℃
- 沸点
- 235 ℃ · 235℃
- 比重(密度)
- 1.029 g/cm3 · 1.029 g/cm3
- 屈折率
- 1.577 · 1.577 (589.3 nm 20℃)
- 貯蔵温度
- 2 · 2-8°C
- 外見
- 液体
- 色
- 黄褐色
- InChI
- InChI=1S/C12H20/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h9-12H,1-8H2
- InChIKey
- FZDZWLDRELLWNN-UHFFFAOYSA-N
- SMILES
- C1C2C3C(CCC2)CCCC3C1
- EPAの化学物質情報
- Acenaphthylene, dodecahydro- (2146-36-3)
安全と法規制
GHS分類
GHS Classification
Danger
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P273, P301+P316, P331, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
応用分野
使用Perhydroacenaphthene or dodecahydroacenaphthylene is used in the synthesis of Alkyladamantanes by the passage of the latter over the alumina catalyst in a flow-type plant with a metal reactor that has application in the field of nanotechnology.
調製方法
製造方法Perhydro acenaphthene is the main raw material of preparation 1,3-dimethyladamantane, is the important intermediate of preparation Derivatives of Adamantane.Derivatives of Adamantane is a kind of excellent antidementia agent, clinical research confirmation its have good efficacy to vascular dementia.The synthesis of Perhydroacenaphthene:1) adding industrial acenaphthylene to 95% ethanol, heating, refluxing and dissolving, then cooling, crystallizing, centrifuging to obtain refined acenaphthene, and carrying out distillation recycling of the filtrate;2) adding the refined acenaphthene and a catalyst Raney Ni into a high-pressure kettle, replacing gas in the kettle with hydrogen, filling hydrogen to make the pressure in the kettle rise to 0.8 MPa, heating up to about 180°C, starting a reaction for 5 h, continuously supplementing hydrogen during the reaction, making the pressure in the kettle rise slowly, and allowing the pressure after the reaction to be 4.0 MPa; 3) cooling after the reaction is finished, filtering the catalyst, and thus obtaining the perhydroacenaphthene.https://patents.google.com/patent/CN105461499A/en
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