化工社化工社 化学情報印刷レポート · 研究参考用
1,4-ジイソプロピルベンゼン
1,4-ジイソプロピルベンゼン · 1,4-ビス(1-メチルエチル)ベンゼン · p-ジイソプロピルベンゼン · 1,4-ジ(1-メチルエチル)ベンゼン · ｐジイソプロピルベンゼン · 1,4‐ジイソプロピルベンゼン · 1,4-ジイソプロピルベンゼン, 99% · 1,4-Disopropylbenzene
識別子と物理属性
| CAS No. | 100-18-5 |
|---|---|
| 分子式 | C12H18 |
| 平均分子量 | 162.27 g/mol |
| 単同位体質量 | 162.14085058 g/mol |
| SMILES | CC(C)c1ccc(C(C)C)cc1 |
| InChIKey | SPPWGCYEYAMHDT-UHFFFAOYSA-N |
| PubChem CID | 7486 |
| ChEMBL | CHEMBL1872836 |
| EC No. | 202-826-9 |
| DTXSID | DTXSID2026652 |
| 現地名 | 1,4-ジイソプロピルベンゼン |
化学・物理的性質
| XLogP | 4.9 |
|---|---|
| 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 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 100 |
| Solvents | Solvents -> Aromatic Solvents |
| 密度 | 0.8568 AT 20 °C/4 °C0.8568 @ 20°C0.857 g/mL at 25 °C (lit.) |
| Color/Form | Liquid |
| 溶解度 | INSOL IN WATERSol in all proportions of alcohol, ether, acetone, benzene.Chloroform (Sparingly), Methanol (Slightly)アルコール、エーテル、アセトン、ベンゼンに可溶。水に不溶。 |
| 沸点 | 210.3 °C210.3 °C @760 [mm Hg]210 °C (lit.) |
| 融点 | -17.1 °C-17 °C-17 °C (lit.) |
| 蒸気圧 | 0.24 [mmHg]1 MM HG AT 40.0 °C0.25 mm Hg ( 20 °C) |
| Physical Description | LiquidGas VaporWhite solid[HSDB] Colorless liquid[MSDSonline] |
| 蒸気密度 | 5.6 (vs air) |
| 屈折率 | n20/D 1.489(lit.) |
| 引火点 | 170 °F |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | clear liquid |
| 色 | Colorless to Almost colorless |
| BRN | 1854739 |
| ヘンリー定数 | 1.0×10-3 mol/(m3Pa) at 25℃, Yaws (2003) |
| InChI | 1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3 |
| InChIKey | SPPWGCYEYAMHDT-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccc(cc1)C(C)C |
| LogP（分配係数） | 5.23 at 25℃ |
| CAS データベース | 100-18-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzene, 1,4-bis(1-methylethyl)-(100-18-5) |
| EPAの化学物質情報 | p-Diisopropylbenzene (100-18-5) |
化学的特性
CLEAR COLOURLESS LIQUID
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 6.7% (5 of 75) of reports.WarningH315 (74.7%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P271, P273, P280, P302+P352, P304+P340, P318, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 75 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Benzene, 1,4-bis(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,4-bis(1-methylethyl)- 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)Status: Active Update: 10-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15776Benzene, 1,4-bis(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | An irritantEffects in high-dose animal studies include general anesthesia[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (74.7%)Flammable liquids - Category 4 |
| Protective Action Criteria (PAC) | 2.7 [mg/m3]30 [mg/m3]180 [mg/m3] |
| 有害作用 | Neurotoxin - Acute solvent syndrome |
| Non-Human Toxicity Excerpts | OF 10 RATS DOSED WITH 0.5 ML/KG ... ONE DEATH ... OCCURRED.Diisopropylbenzene occurs in three isomeric forms, namely as the ortho, the meta, and the para derivatives ... . Orally, they are of very low toxicity. Of 10 rats dosed with 5.0 ml/kg, no deaths for the meta, and one death for the ortho and the para isomers occurred. Russian reports of 1970 indicate that rats and rabbits exposed to 0.2 to 1.0 mg/liter (30 to 150 ppm) for 90 minutes daily for 5 weeks developed vascular hyperemia, hemorrhaging in most major organs, and fatty and protein dystrophy in the liver, kidney, and heart, and hyperplasia of the bone marrow. meta-Diisopropylbenzene caused decreased fertility in the rat and mouse at 1 to 3 mg/liter for 30 days.Diisopropylbenzene rated 1 on rabbit eyes /on a scale of 1 to 10 with 10 being the most severe/. /Diisopropylbenzene/ |
| Environmental Water Concentrations | ISOMERS IMPART A SPECIFIC SMELL TO WATER BUT HAVE NO SIGNIFICANT EFFECT ON SANITATION OF WATER BODIES. HYGIENIC STANDARD LEVEL FOR BOTH SUBSTANCES IN WATER SHOULD BE SET @ LEVEL OF 0.05 MG/LITER. |
| Toxicity Data | LCLo (mouse) = 5300 mg/m3/2H |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | CZ6360000 |
| 輸送番号（UN） | UN 3082 9/PG 3 |
| 税関コード | 29029090 |
| 危険文句（R） | 36/37/38-53-38 |
| 化審法 | (3)-25 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi |
| 安全措置（S） | 26-36 |
| 危険等級 | 9Skin Irrit. 2 |
| 包装等級 | III |
| 貯蔵分類 | 10 - Combustible liquids |
| 有害物質データ | 100-18-5(Hazardous Substances Data) |
用途
用途
溶媒、中間体
使用
1,4-Diisopropylbenzene is used as an intermediate for the synthesis of stabilizers, polymers, synthetic lubricants and hydroperoxides. It is also used in the trivalent actinide-lanthanide separation by phosphorus reagent extraction from aqueous komplexes (TALSPEAK) process for separating trivalent lanthanides from trivalent actinide cations. It finds application in nuclear fuel reprocessing.
一般的な説明
1,4-diisopropylbenzene (DIPB) is one of the components of crude petroleum.