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n-ドデシルトリメチルアンモニウム クロリド
n-ドデシルトリメチルアンモニウム クロリド · ドデシルトリメチルアンモニウムクロリド · ドデシルトリメチルアンモニウム·クロリド · N,N,N-トリメチルドデカン-1-アミニウム·クロリド · N,N,N-トリメチル-1-ドデカンアミニウム·クロリド · トリメチルドデシルアミニウム·クロリド · アリクアット4 · ラウリルトリメチルアミニウム·クロリド
識別子と物理属性
| CAS No. | 112-00-5 |
|---|---|
| 分子式 | C15H34N.Cl |
| 平均分子量 | 263.89 g/mol |
| SMILES | CCCCCCCCCCCC[N+](C)(C)C.[Cl-] |
| InChIKey | DDXLVDQZPFLQMZ-UHFFFAOYSA-M |
| PubChem CID | 8152 |
| ChEMBL | CHEMBL1884887 |
| EC No. | 203-927-0 |
| DTXSID | DTXSID1026900 |
| 現地名 | n-ドデシルトリメチルアンモニウム クロリド |
化学・物理的性質
| 極性表面積 | 0 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 11 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 135 |
| 物質分類 | Nitrogen Compounds -> Quaternary Amines |
| 化粧品 | Cosmetic ingredients (Laurtrimonium Chloride) -> CIR (Cosmetic Ingredient Review)AntistaticPreservativeEmulsifying |
| 蒸気圧 | 0.00000001 [mmHg]0Pa at 25℃ |
| Physical Description | CBILiquidSolid[EPA ChAMP: Initial Risk-Based Prioritization Document] White to light yellow powder and chunksHygroscopic[Acros Organics MSDS] |
| 融点 | 37 °C |
| 沸点 | 412.12°C (rough estimate) |
| 密度 | 0.9265 (rough estimate) |
| 屈折率 | n20/D 1.426 |
| 引火点 | 19 °C |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解度 | H2O: 50 mg/mL 無色透明溶ける |
| 外観・状態 | 粉末またはチャンク |
| 色 | 白色～淡黄色 |
| pH | 4.0 to 7.5(50 g/L, 25 ℃) |
| BRN | 3915951 |
| 安定性 | 安定。強力な酸化剤とは相容れない。湿気から保護してください。 |
| 化粧品成分の機能 | 防腐剤界面活性剤 - 乳化剤帯電防止 |
| InChI | 1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H31H/q+1/p-1 |
| InChIKey | DDXLVDQZPFLQMZ-UHFFFAOYSA-M |
| SMILES | [Cl-].CCCCCCCCCCCC[N+](C)(C)C |
| LogP（分配係数） | 1.22 at 25℃ |
| 表面張力 | 860-1710mN/m at 52.78-105.56g/L and 25℃ |
| CAS データベース | 112-00-5(CAS DataBase Reference) |
| EPAの化学物質情報 | Dodecyl trimethyl ammonium chloride (112-00-5) |
化学的特性
white solid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.5% (12 of 476) of reports.DangerH302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 476 reports by companies from 28 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 1-Dodecanaminium, N,N,N-trimethyl-, chloride1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1) 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: 14-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/242151-Dodecanaminium, N,N,N-trimethyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Cationic surfactants: Human health tier II assessment |
| 有害性の概要 | Increased liver weights (with corresponding histopathology) and increased ALT activity in repeated-dose oral studies of animals[EPA ChAMP: Hazard Characterizations] An irritantHarmful by ingestion[Acros Organics MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (87.2%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4Hazardous to the aquatic environment (Acute) - Category 1 |
| 有害作用 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| 毒性の概要 | The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Laurtrimonium Chloride...Safe for use in cosmetics, with qualifications |
| F | 3-10 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | JR2122500 |
| 輸送番号（UN） | UN 3077 9/PG 3 |
| 毒性 | LD50 orally in Rabbit: 200 - 1000 mg/kg |
| 税関コード | 29239000 |
| 危険文句（R） | 36/37/38-50-50/53-22-67-11 |
| 化審法 | (2)-184, (9)-1971 優先評価化学物質 |
| 危険表示 | Xi,N,Xn,F |
| 安全措置（S） | 26-61-60-37/39-36-16 |
| 危険等級 | 6.1(b)Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2 |
| 包装等級 | III |
| 貯蔵分類 | 13 - Non Combustible Solids |
用途
用途
有機合成原料。
使用
Dodecyltrimethylammonium chloride belongs to quaternary ammonium salts,it is useful as paint strippers, foaming stabilizers, and bactericidal lotions.
一般的な説明
Dodecyltrimethylammonium chloride is a cationic alkyltrimethylammonium chloride surfactant that can undergo micellization in aqueous solution. it is mainly used for the denaturation of proteins.
製法・合成法
純化方法
Dissolve the chloride in MeOH, treat with active charcoal, filter and dry it in vacuo [Waldenburg J Phys Chem 88 1655 1984], or recrystallise it several times from 10% EtOH in acetone. It has also been repeatedly crystallised from EtOH/ether or MeOH. [Cella et al. J Am Chem Soc 74 2062 1952, Beilstein 4 IV 79.]