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プロポキスル
アプロカルブ · インビシ-ガード · アルプロカルブ · プロポキスル · サンサイド · ブラッタネックス · メチルカルバミド酸2-(1-メチルエトキシ)フェニル · メチルカルバミド酸2-イソプロポキシフェニル
識別子と物理属性
| CAS No. | 114-26-1 |
|---|---|
| 分子式 | C11H15NO3 |
| 平均分子量 | 209.24 g/mol |
| 単同位体質量 | 209.10519334 g/mol |
| SMILES | CNC(=O)Oc1ccccc1OC(C)C |
| InChIKey | ISRUGXGCCGIOQO-UHFFFAOYSA-N |
| PubChem CID | 4944 |
| ChEMBL | CHEMBL446060 |
| ChEBI | CHEBI:34938 |
| EC No. | 204-043-8 |
| DTXSID | DTXSID7021948 |
| 現地名 | プロポキスル |
化学・物理的性質
| XLogP | 1.5 |
|---|---|
| 極性表面積 | 47.6 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 4 |
| 重原子数 | 15 |
| 形式電荷 | 0 |
| 複雑度 | 206 |
| 物質分類 | Hazardous Air Pollutants (HAPs) |
| SpringerMaterials Properties | Fusion temperature |
| 農薬 | Pesticide -> EPA IRISInsecticidesActive substance -> EU Pesticides database: Not approvedPesticides -> Carbamate InsecticidesPesticide (Propoxur) -> USDA PDB |
| LogP（分配係数） | log Kow = 1.52 |
| 臭い | Odorless |
| 密度 | 1.12 at 20 °CDensity (at 20 °C): 1.1 g/cm³1.12 @ 20°C1.1200 |
| Color/Form | Minute crystalsWhite, crystalline powderWhite to tan, crystalline solid |
| 溶解度 | 0.2 % (NIOSH, 2024)Soluble in methanol, acetone, and many organic solventsslightly soluble in cold hydrocarbonsSoluble in most polar solventsReadily soluble in 2-propanol, dichloromethane, toluenehardly soluble in n-hexaneIn water, 1860 mg/L at 30 °CSolubility in water, g/100ml at 20 °C: 0.2 (poor)Chloroform: slightlyMethanol: slightlyやや溶ける。 0.2g/100mL |
| 引火点 | greater than 300 °F (NIOSH, 2024)>300 °F-18 °C |
| 沸点 | Decomposes (NIOSH, 2024)Decomposes on distillation348.6°C (rough estimate) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxide/.Decomposition products: oxides of nitrogen & methyl isocyanate at high temperatures. |
| 融点 | 187 to 197 °F (NIOSH, 2024)87 °CMP: 91 °C. Unstable in highly alkaline conditionsstable under normal use conditions187-197 °F91°C |
| 蒸気圧 | 1.3 x 10-3 Pa (20 °C) |
| 屈折率 | 1.5080 (estimate) |
| 貯蔵条件 | 2-8°C |
| pKa（酸解離定数） | 12.28±0.46(Predicted) |
| 外観・状態 | 微細結晶 |
| 色 | White to off-white |
| Merck | 13,7929 |
| BRN | 1879891 |
| ヘンリー定数 | 2.9×103 mol/(m3Pa) at 25℃, HSDB (2015) |
| 主な用途 | 農業環境 |
| InChI | 1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13) |
| InChIKey | ISRUGXGCCGIOQO-UHFFFAOYSA-N |
| SMILES | CNC(=O)Oc1ccccc1OC(C)C |
| CAS データベース | 114-26-1 |
| NISTの化学物質情報 | 2-Isopropoxyphenyl N-methylcarbamate(114-26-1) |
| EPAの化学物質情報 | Propoxur (114-26-1) |
化学的特性
Propoxur is a white to tan crystalline solid or powder. Faint characteristic odor
安全性と法規制
| GHS 分類 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)H300 (23.8%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Hazard Traits - CarcinogenicityNeurotoxicityRegulation (EC) No 396/2005 (amended)Propoxur is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2002/2076Propoxur: HSNO Approval: HSR003072 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| その他の安全情報 | IMAP assessments - Phenol, 2-(1-methylethoxy)-, methylcarbamate: Human health tier I assessment |
| 輸送ラベル（DOT） | Poison |
| 火災危険 | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:Combustible under specific conditions. Liquid formulations containing organic solvents may be flammable. Gives off irritating or toxic fumes (or gases) in a fire. |
| 健康有害性 | Excerpt from NIOSH Pocket Guide for Propoxur: |
| 有害性の概要 | Propoxur is an insecticide used to control cockroaches, flies, mosquitoes, and lawn and turf insects. Acute (short-term) exposure of humans to propoxur by ingestion leads to cholinesterase inhibition of red blood cells, with mild cholinergic symptoms including blurred vision, nausea, vomiting, sweating, and tachycardiahowever, the effects are transient. Chronic (long-term) inhalation exposure has resulted in depressed cholinesterase levels, headaches, vomiting, and nausea in humans. Chronic ingestion studies in animals have reported depressed cholinesterase levels, depressed body weight, effects to the liver and bladder, and a slight increase in neuropathy. No information is available on the reproductive, developmental, or carcinogenic effects of propoxur in humans. Mixed results are available from cancer studies of propoxur in animals. EPA has not classified propoxur for carcinogenicity. |
用途
用途
残留PHC試験用標準品。
用途
農薬(殺虫剤)(失効農薬) (NITE CHRIP)
説明
Propoxur, 2-isopropoxyphenyl methylcarbamate (IUPAC),forms colorless crystals, which are moderately soluble in most organic solvents.
使用
Propoxur is a non-systematic carbamate insecticide. Propoxur is used against a wide range of insects such as fleas, mosquitoes, ants, gypsy moths, and other agricultural pests. Propoxur functions by r eversibly inactivating the enzyme acetylcholinesterase in insects.
一般的な説明
White to tan crystalline powder with a faint, characteristic odor. Used as an insecticide.
製法・合成法
製造方法
Propoxur is prepared by reaction of 2-isopropoxyphenol with methylisocyanate.