化工社化工社 化学情報印刷レポート · 研究参考用
n-オクチルアミン
n-オクチルアミン · オクチルアミン · オクタン-1-アミン · アルメーン8D · モノオクチルアミン · アルミーン8D · アルミーン8 · 1-オクタンアミン
識別子と物理属性
| CAS No. | 111-86-4 |
|---|---|
| 分子式 | C8H19N |
| 平均分子量 | 129.24 g/mol |
| 単同位体質量 | 129.15174961 g/mol |
| SMILES | CCCCCCCCN |
| InChIKey | IOQPZZOEVPZRBK-UHFFFAOYSA-N |
| PubChem CID | 8143 |
| ChEMBL | CHEMBL1160509 |
| ChEBI | CHEBI:7728 |
| EC No. | 203-916-0 |
| DTXSID | DTXSID8021939 |
| 現地名 | n-オクチルアミン |
化学・物理的性質
| XLogP | 3.1 |
|---|---|
| 極性表面積 | 26 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 6 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 43.8 |
| 物質分類 | Nitrogen Compounds -> Amines, Aliphatic |
| SpringerMaterials Properties | Boiling point |
| 密度 | 0.779 @ 20°C0.782 g/mL at 25 °C(lit.) |
| 蒸気圧 | 0.96 [mmHg]1 mm Hg ( 20 °C) |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
| Physical Description | Octanamine appears as a yellow liquid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.Yellow liquid with an ammoniacal odor[CAMEO] Clear colorless liquid[Sigma-Aldrich MSDS] |
| 融点 | −5-−1 °C(lit.) |
| 沸点 | 175-177 °C(lit.) |
| 屈折率 | n20/D 1.429(lit.) |
| 引火点 | 145 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | 0.32g/リットル0.2g/L(25℃) |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 10.65(at 25℃) |
| 色 | クリア |
| pH | 11.8 (100g/l, H2O, 25℃) |
| 臭い | 強い生臭いアンモニア臭 |
| 爆発限界 | 1.6-8.2%(V) |
| BRN | 1679227 |
| ヘンリー定数 | 2.2×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 誘電率 | 3.5800000000000001 |
| InChI | 1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 |
| InChIKey | IOQPZZOEVPZRBK-UHFFFAOYSA-N |
| SMILES | CCCCCCCCN |
| LogP（分配係数） | 3.46 at 20℃ |
| CAS データベース | 111-86-4(CAS DataBase Reference) |
| NISTの化学物質情報 | 1-Octanamine(111-86-4) |
| EPAの化学物質情報 | Octylamine (111-86-4) |
化学的特性
CLEAR LIQUID
安全性と法規制
| GHS 分類 | DangerH226 (95.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 790 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226: Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 規制情報 | Chemical: 1-Octanamine1-Octanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanamine 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: 28-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1996Octylamine: Does not have an individual approval but may be used under an appropriate group standard |
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 健康有害性 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 有害性の概要 | A severe eye irritantCauses somnolence in dermal lethal-dose studies of rabbits[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tractHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| Reactivity Profile | OCTANAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (95.9%)Flammable liquids - Category 3 |
| 消火 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 応急処置 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 非火災時の漏出対応 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Protective Action Criteria (PAC) | 1.1 [mg/m3]12 [mg/m3]71 [mg/m3] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 有害作用 | Dermatotoxin - Skin burns. |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | RG8050000 |
| 輸送番号（UN） | UN 2735 8/PG 2 |
| 毒性 | LD50 orally in Rabbit: > 250 mg/kg LD50 dermal Rabbit 200 - 2000 mg/kg |
| 税関コード | 29211980 |
| 危険文句（R） | 34-50-35-20/21/22 |
| 化審法 | (2)-133 優先評価化学物質 |
| 消防法 | 危-4-2-III |
| 危険表示 | C,N |
| 安全措置（S） | 26-36/37/39-45-61-29 |
| 危険等級 | 8Acute Tox. 3 DermalAcute Tox. 3 OralAcute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 3 |
| 包装等級 | II |
| 自然発火温度 | 265 °C |
| 貯蔵分類 | 3 - Flammable liquids |
用途
用途
殺生物剤、殺虫剤および医薬品などの中間体
使用
1-Octylamine is used as a precursor to prepare chemicals. It finds application in functional fluids and as a laboratory reagent. Further, it is used as a reactant in the preparation of 2H-indazoles and 1H-indazolones, which are used as myeloperoxidase(MPO) inhibitors.
一般的な説明
A yellow liquid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
使用用途
1-オクチルアミンの使用用途は、以下の通りです。 道路用アスファルト乳化剤 ゴム離型剤 グリース用増稠剤 浮遊選鉱剤 衣料柔軟剤 (陽イオン性界面活性剤) 両性界面活性剤原料 防錆・防食剤 肥料固結防止剤 加硫促進剤 印刷インキ トナー また、抗菌・殺生物剤であるオクテニジンや、N-オクチルピロリドンなどの中間体としても使用されます。広義のオクチルアミンとして、ジオクチルアミンは、トリオクチルアミンは溶剤抽出剤や水処理剤、溶剤抽出剤、金属元素に対する陰イオン交換体などに使われています。
製法・合成法
調製方法
Specific uses were not located in the literature. 1-Octylamine is manufactured under the tradenameArmeen8D(Armak).