化工社化工社 化学情報印刷レポート · 研究参考用
2,6-ジイソプロピルナフタレン
2,6-ジイソプロピルナフタレン · 2,6-ジイソプロピルナフタレン標準品 · 2,6‐ジイソプロピルナフタレン標準品 · 2,6-ジイソプロピルナフタレン, IN ISOOCTANE (1000ΜG/ML) · 2,6-DIPN · 2,6-DIISOPRYLNAPHTHALENE · 2,6-diisopropyl naphtalene · 2,6-DIISOPROPYLNAPHTHALENE
識別子と物理属性
| CAS No. | 24157-81-1 |
|---|---|
| 分子式 | C16H20 |
| 平均分子量 | 212.33 g/mol |
| 単同位体質量 | 212.15650064 g/mol |
| SMILES | CC(C)c1ccc2cc(C(C)C)ccc2c1 |
| InChIKey | GWLLTEXUIOFAFE-UHFFFAOYSA-N |
| PubChem CID | 32241 |
| ChEMBL | CHEMBL3182870 |
| ChEBI | CHEBI:145669 |
| EC No. | 246-045-1 |
| DTXSID | DTXSID7035272 |
| 現地名 | 2,6-ジイソプロピルナフタレン |
化学・物理的性質
| XLogP | 5.8 |
|---|---|
| 極性表面積 | 0 |
| 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 | 2 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 192 |
| Kovats Retention Index | 17041716.817281735.517271733172522142242 |
| 融点 | 67-70 °C |
| 沸点 | 279.3 °C |
| 密度 | 0.9560 (estimate) |
| 蒸気圧 | 0.08Pa at 25℃ |
| 屈折率 | 1.5774 (estimate) |
| 引火点 | 140 °C |
| 貯蔵条件 | Store at room temperature |
| 溶解度 | Acetonitrile (Slightly), Chloroform (Slightly), Methanol1mg/L at 25℃ |
| 外観・状態 | powder to crystal |
| 色 | White to Almost white |
| 比重 | 0.968 |
| ヘンリー定数 | 1.3×10-2 mol/(m3Pa) at 25℃, Schröder et al. (2013) |
| InChI | 1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3 |
| InChIKey | GWLLTEXUIOFAFE-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccc2cc(ccc2c1)C(C)C |
| LogP（分配係数） | 6.5 at 25℃ |
| CAS データベース | 24157-81-1(CAS DataBase Reference) |
| EPAの化学物質情報 | 2,6-Diisopropylnaphthalene (24157-81-1) |
化学的特性
beige crystalline platelets
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 6.5% (3 of 46) of reports.WarningH302 (84.8%): Harmful if swallowed [Warning Acute toxicity, oral]H400 (84.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (93.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 46 reports by companies.There are 3 notifications provided by 43 of 46 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Status: Active Update: 19-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24684 |
| Hazard Classes and Categories | Acute Tox. 4 (84.8%)Aquatic Acute 1 (84.8%)Aquatic Chronic 1 (93.5%) |
| 水環境危害等級（WGK） | WGK 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | 3077 |
| 税関コード | 29029090 |
| 危険文句（R） | 22-50/53 |
| 化審法 | (4)-961 監視化学物質 |
| 危険表示 | Xn,N |
| 安全措置（S） | 24/25-61-60 |
| 危険等級 | 9Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1 |
用途
用途
有機合成原料、合成樹脂原料。
用途
残留農薬試験用標準品。
一般的な説明
Clear yellowish brown liquid with a faint sweet odor.