化工社化工社 化学情報印刷レポート · 研究参考用
ベンゾドデシニウムクロリド
ドデシルジメチルベンジルアミニウム·クロリド · N,N-ジメチル-N-ベンジル-1-ドデカンアミニウム·クロリド · ドデシルジメチル(ベンジル)アミニウム·クロリド · N-ベンジル-N,N-ジメチル-1-ドデカンアミニウム·クロリド · N,N-ジメチル-N-ドデシルベンゼンメタンアミニウム·クロリド · ドデシルジメチルベンジルアンモニウムクロリド · ジメチルベンジルドデシルアミニウム·クロリド · ベンジルドデシルジメチルアンモニウム·クロリド
識別子と物理属性
| CAS No. | 139-07-1 |
|---|---|
| 分子式 | C21H38N.Cl |
| 平均分子量 | 340 g/mol |
| SMILES | CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] |
| InChIKey | JBIROUFYLSSYDX-UHFFFAOYSA-M |
| PubChem CID | 8753 |
| ChEMBL | CHEMBL1885899 |
| ChEBI | CHEBI:167208 |
| EC No. | 205-351-5 |
| DTXSID | DTXSID2040787 |
| 現地名 | ベンゾドデシニウムクロリド |
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 | 13 |
| 重原子数 | 23 |
| 形式電荷 | 0 |
| 複雑度 | 240 |
| 物質分類 | Nitrogen Compounds -> Quaternary Amines |
| 化粧品 | PreservativeAntistatic |
| 農薬 | HerbicidesActive substance -> EU Pesticides database: Not approvedBiocide |
| 融点 | ~60 °C |
| 沸点 | 162.7℃[at 101 325 Pa] |
| 密度 | 1.03[at 20℃] |
| 蒸気圧 | 0Pa at 20℃ |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | 866g/L in organic solvents at 20 ℃2g/L at 20℃ |
| 外観・状態 | Solid |
| 色 | White to Off-White |
| BRN | 3921689 |
| 安定性 | Hygroscopic |
| 化粧品成分の機能 | 帯電防止防腐剤 |
| InChI | InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H31H/q+1/p-1 |
| InChIKey | JBIROUFYLSSYDX-UHFFFAOYSA-M |
| SMILES | C1(=CC=CC=C1)C[N+](C)(C)CCCCCCCCCCCC.[Cl-] |
| LogP（分配係数） | 2.63 |
| CAS データベース | 139-07-1(CAS DataBase Reference) |
| EPAの化学物質情報 | Dodecyl dimethyl benzyl ammonium chloride (139-07-1) |
化学的特性
White fine crystalline powder
安全性と法規制
| GHS 分類 | DangerH302+H312 (33.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 313 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 規制情報 | Chemical: Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride2004/129/ECStatus: Active Update: 29-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30313N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | Evaluation - Benzalkonium halides |
| 有害性の概要 | Mild skin irritantIngestion hazard[EPA OHM/TADS] Occupational asthma in a pharmacist confirmed by broncho-provocation testing and PEF[Malo] Allergic contact dermatitis is infrequently documented for quaternary ammonium compounds[Marks, p. 266] Quaternary ammonium compounds have curare-like properties when concentrated solutions are ingestedAffected patients may have methemoglobinemia and hemolysis and die within 1-3 hoursElevated liver function tests were reportedConcentrated solutions can cause burnsNo data on carcinogenicity or teratogenicity[IPCS-PIMs] |
| Hazard Classes and Categories | Acute Tox. 4 (99.7%)Acute toxicity (ingestion) - category 4Skin corrosion/irritation - Category 1Acute toxicity (Oral) - Category 4 |
| 有害作用 | Neurotoxin - Other CNS neurotoxin |
| F | 3-10 |
| 水環境危害等級（WGK） |
用途
使用
Quaternary ammonium composition to treat herpes, pseudomonas, staph, hepatitis and other infectious diseases.