イソホロンジアミン (cis-, trans-混合物)
イソホロンジアミン (cis-, trans-混合物) · 3-(アミノメチル)-3,5,5-トリメチルシクロヘキサン-1-アミン · 3-(アミノメチル)-3,5,5-トリメチルシクロヘキサンアミン · 3-メチル-3-(アミノメチル)-5,5-ジメチル-1-シクロヘキサンアミン · 5-(アミノメチル)-3,3,5-トリメチルシクロヘキサン-1-アミン · 3,5,5-トリメチル-3-(アミノメチル)シクロヘキサンアミン · 1,3,3-トリメチル-1-(アミノメチル)-5-アミノシクロヘキサン · 3-アミノメチル-3,5,5-トリメチルシクロヘキサンアミン
識別子と物理属性
| CAS No. | 2855-13-2 |
|---|---|
| 分子式 | C10H22N2 |
| 平均分子量 | 170.3 g/mol |
| 単同位体質量 | 170.1782987 g/mol |
| SMILES | CC1(C)CC(N)CC(C)(CN)C1 |
| InChIKey | RNLHGQLZWXBQNY-UHFFFAOYSA-N |
| PubChem CID | 17857 |
| ChEMBL | CHEMBL1876029 |
| EC No. | 220-666-8 |
| DTXSID | DTXSID6027503 |
| 現地名 | イソホロンジアミン (cis-, trans-混合物) |
化学・物理的性質
| XLogP | 1.1 |
|---|---|
| 極性表面積 | 52 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 165 |
| 物質分類 | Nitrogen Compounds -> Amines, CyclicCorrosives |
| LogP（分配係数） | 1.90 (calculated) |
| 臭い | Characteristic odor |
| 密度 | 0.924 at 68 °F (USCG, 1999) - Less dense than waterwill float0.922Relative density (water = 1): 0.920.924 g/mL at 20 °C(lit.) |
| Viscosity | 18 mPa*s at 20 °C |
| Color/Form | Colorless liquid |
| 溶解度 | Solubility in water at 492 g/l at 23.8 °C: very solubleChloroform (Slightly), Methanol (Slightly)混和性 |
| Corrosivity | Corrosive |
| 引火点 | 230 °F (USCG, 1999)Flash point =112 °C112 °C c.c.>230 °F |
| 沸点 | 477 °F at 760 mmHg (USCG, 1999)247 °C247 °C(lit.) |
| 融点 | 50 °F (USCG, 1999)10 °C10 °C(lit.) |
| 蒸気圧 | 0.01 [mmHg]Vapor pressure, Pa at 20 °C: 1.60.02 hPa (20 °C) |
| 屈折率 | n20/D 1.490 |
| 貯蔵条件 | Store below +30°C. |
| pKa（酸解離定数） | 10.57±0.70(Predicted) |
| 外観・状態 | 液体 |
| 色 | クリア |
| pH | 11.6 (10g/l, H2O, 20℃) |
| 爆発限界 | 1.2%(V) |
| 安定性 | 安定。強力な酸化剤とは相容れない。 |
| InChI | 1S/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3 |
| InChIKey | RNLHGQLZWXBQNY-UHFFFAOYSA-N |
| SMILES | CC1(C)CC(N)CC(C)(CN)C1 |
| LogP（分配係数） | 0.99 at 23℃ |
| CAS データベース | 2855-13-2(CAS DataBase Reference) |
| EPAの化学物質情報 | Isophorone diamine (2855-13-2) |
化学的特性
faintly yellow liquid
安全性と法規制
| GHS 分類 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1340) of reports.H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 規制情報 | Chemical: Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl- 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: 28-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14449Isophoronediamine: Does not have an individual approval but may be used under an appropriate group standardThe 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 - Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-: Human health tier II assessment |
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily.Combustible. |
| 健康有害性 | Inhalation of high concentrations of vapor causes irritation, coughing, and nausea. Eyes: May cause inflammation/burns. Skin: May cause burns. Ingestion: Nausea. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| 有害性の概要 | If inhaled, it can provoke coughing and nausea. [CHRIS] An epoxy resin hardener and suspected cause of occupational asthma, isophorone diamine is one component of mixtures causing occupational asthma in two separate documented cases: (1) [Occupational asthma due to EPO 60. Lambourn EM, Hayes JP, McAllister WA, Taylor AJ. Br J Ind Med 1992 Apr |
用途
用途
有機合成原料。
用途
エポキシ樹脂硬化剤、ウレタン用架橋剤,ポリアミド原料
説明
Isophorone diamine is widely used as an epoxy-resin hardener. It is a strong sensitizer and can cause airborne contact dermatitis.
使用
Isophorondiamine mainly used as epoxy curing agents, mainly for applications requiring low color, low odor, high flexural strength and excellent chemical resistance of epoxy formulations. Suitable for floor coatings, fillers and paving mixes.
一般的な説明
A clear to light-yellow liquid. Highly soluble though slightly denser than water. May be toxic by inhalation and skin absorption. Corrosive to skin. Used to make other chemicals.
製法・合成法
調製方法
Isophorondiamine is made from isophorone nitrile, ammonia, and hydrogen, which leads to simultaneous imination and hydrogenation of the resulting imine and nitrile groups. Catalysts employed are mainly cobalt or ruthenium.