基本情報
- CAS
73545-11-6- 標準SMILES
CCCCC(CC)CCC(C)c1ccc2cccnc2c1O- InChIKey
YWACCMLWVBYNHR-UHFFFAOYSA-N- 分子式
- C20H29NO
- 平均分子量
- 299.4 g/mol
- 単同位体質量
- 299.22491455
名称と識別子
- 優先名称
- 8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-
- IUPAC
- 7-(5-ethylnonan-2-yl)quinolin-8-ol
- 現地名
- 7-(4-エチル-1-メチルオクチル)-8-キノリノール
- 英語名
- Kelex-100
- 分子式
- C20H29NO
- 分子量
- 299.45
名称と別名
73545-11-67-(4-Ethyl-1-methyloctyl)quinolin-8-ol7-(4-ETHYL-1-METHYLOCTYL)-8-HYDROXYQUINOLINE8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-7-(4-Ethyl-1-methyloctyl)-8-quinolinolEINECS 277-531-1DTXSID80868261RefChem:548415DTXCID20816387277-531-17-(5-ethylnonan-2-yl)quinolin-8-olKelex-100
名称をさらに表示
7-(4-エチル-1-メチルオクチル)-8-ヒドロキシキノリンケレックス1007-(1-メチル-4-エチルオクチル)-8-キノリノール7-(1-メチル-4-エチルオクチル)キノリン-8-オール7-(4-エチル-1-メチルオクチル)-8-キノリノール7-(4-エチル-1-メチルオクチル)キノリン-8-オール7-(5-エチルノナン-2-イル)キノリン-8-オールNODS-78 (Kelex-100)7-(4-Ethyl-1-methyloctyl)Kelex-100 ISO 9001：2015 REACH7-(4-ethyl-1-methyloctyl)-8-quinolino7-(4-Ethyl-1-methyloctyl)quinoline-8-ol7-(1-Methyl-4-ethyloctyl)quinoline-8-ol
MFCD073682867-(4-ethyl-1-methyloctyl)-8-hydroxy-quinoline7-(5-Ethyl-2-nonyl)quinolin-8-ol7-(4-ethyl-1-methyl-octyl)quinolin-8-ol7-(4-ETHYL-1-METHYLOCTY)-8-HYDROXYQUINOLINESCHEMBL1510019SCHEMBL29586523SCHEMBL29783593
データベース識別子
- CAS
73545-11-6- PubChem CID
- 166430
- DTXSID
DTXSID80868261- EC Number
- 277-531-1
- Nikkaji
- J295.238F
物性
構造計算による物性
- XLogP
- 7
- 極性表面積
- 33.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 8
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 306
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
物理化学的性質
- 沸点
- 250 °C · 250°C
- 比重(密度)
- 1.005 · 1.005±0.06 g/cm3(Predicted)
- 蒸気圧
- 0.002 Pa · 0.002Pa at 20℃
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 4.94 · 4.94±0.50(Predicted)
- 外見
- viscous liquid
- 色
- Very dark red/brown
- InChI
- InChI=1S/C20H29NO/c1-4-6-8-16(5-2)11-10-15(3)18-13-12-17-9-7-14-21-19(17)20(18)22/h7,9,12-16,22H,4-6,8,10-11H2,1-3H3
- InChIKey
- YWACCMLWVBYNHR-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C(C(C)CCC(CC)CCCC)C=2O)C=CC=1
- LogP
- 6.974 at · 6.974 at 20℃
- CAS データベース
- 73545 · 73545-11-6(CAS DataBase Reference)
- EPAの化学物質情報
- 8 · 8-Quinolinol, 7-(4-ethyl-1-methyloctyl)- (73545-11-6)
化学的性質
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
Danger
H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 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: 8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-
REACH registered substance: 7-(4-ethyl-1-methyloctyl)quinolin-8-ol (EC: 277-531-1)
8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-: 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.
Hazard Classes and CategoriesSkin Irrit. 2 (25%)
安全データ
- tsca
- TSCA listed
- hs_code
- 2933499090
化学と産業
用途と製造
General Manufacturing Information8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-: INACTIVE
サプライヤー89 社
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
南京予善化工有限公司025-025-85281586 +86-18105181009 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017-8003 13259417953 · [email protected]
Nanjing Kaitian Chemical Co., LTD+86-13337816511 +86-13337835376 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017; +8613259417953 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
四川星优天下医药科技有限公司18328380615 · [email protected]
广东百科试剂有限公司
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