化工社化工社 化学情報印刷レポート · 研究参考用
カルボキシラトメチルドデシルジメチルアンモニウム
ドデシルジメチルアミニオアセタート · ラウリル(カルボキシラトメチル)ジメチルアミニウム · N-ドデシル-N,N-ジメチルグリシン · カルボキシラトメチルドデシルジメチルアンモニウム · ドデシルジメチル(カルボキシラトメチル)アミニウム · N,N-ジメチル-N-カルボキシラトメチルドデカン-1-アミニウム · ラウリルジメチルアミノ酢酸ベタイン · N,N-ジメチル-N-(カルボキシラトメチル)ドデシルアミニウム
識別子と物理属性
| CAS No. | 683-10-3 |
|---|---|
| 分子式 | C16H33NO2 |
| 平均分子量 | 271.44 g/mol |
| SMILES | CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] |
| InChIKey | DVEKCXOJTLDBFE-UHFFFAOYSA-N |
| PubChem CID | 4292413 |
| ChEMBL | CHEMBL1232088 |
| EC No. | 211-669-5 |
| DTXSID | DTXSID6041266 |
| 現地名 | カルボキシラトメチルドデシルジメチルアンモニウム |
化学・物理的性質
| XLogP | 6.1 |
|---|---|
| 極性表面積 | 40.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 12 |
| 重原子数 | 19 |
| 形式電荷 | 0 |
| 複雑度 | 221 |
| 化粧品 | Cosmetic ingredients (Lauryl Betaine) -> CIR (Cosmetic Ingredient Review)Hair conditioningSkin conditioningAntistaticCleansingSurfactant |
| Physical Description | CBILiquid |
| 沸点 | 414.52°C (rough estimate) |
| 密度 | 1.04 g/mL at 20 °C |
| 蒸気圧 | 16.796hPa at 21.1℃ |
| 屈折率 | 1.4545 (estimate) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | Chloroform (Slightly), DMSO (Slightly, Heated), Methanol (Slightly)464g/L at 25℃ |
| 外観・状態 | Solid |
| 色 | White to Off-White |
| 比重 | 1.03 |
| BRN | 3670807 |
| 安定性 | Hygroscopic |
| 化粧品成分の機能 | スキンコンディショニングヘアコンディショニング界面活性剤 - 洗浄帯電防止クレンジング |
| InChI | 1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3 |
| InChIKey | DVEKCXOJTLDBFE-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCC[N+](C)(C)CC([O-])=O |
| LogP（分配係数） | 0.07 at 25℃ |
| EPAの化学物質情報 | 1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt (683-10-3) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 5.5% (51 of 935) of reports.DangerH302 (53%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 935 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|---|
| 規制情報 | Chemical: 1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt 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)REACH registered substance: (carboxylatomethyl)dodecyldimethylammonium (EC: 211-669-5)1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt: Does not have an individual approval but may be used under an appropriate group standard |
| EPA Safer Chemical | Chemical: Lauryldimethylbetaine |
| Hazard Classes and Categories | Acute Tox. 4 (53%)Not ClassifiedAcute toxicity (Oral) - Category 4Skin sensitization - Category 1 |
| 毒性の概要 | The CIR Expert Panel concluded that the eleven alkyl betaines listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Lauryl Betaine...Safe for use in cosmetics, with qualifications |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | JR2115000 |
| 輸送番号（UN） | 2811 |
| 危険文句（R） | 36/37/38-25-21 |
| 化審法 | 優先評価化学物質 |
| 危険表示 | Xi,T |
| 安全措置（S） | 26-36-45-36/37 |
| 危険等級 | 6.1Acute Tox. 3 Oral |
| 包装等級 | Ⅲ |
| 貯蔵分類 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
用途
用途
繊維仕上げ剤、化粧品?シャンプー原料、消毒剤 (化学工業日報社)
使用
Lauryl Betaine is an amphoteric surfactant derived from N-dodecyl-N,N-dialkanol amine with protein denaturing potency. Lauryl Betaine is mainly used in shampoo, personal hygiene products and oil field chemicals.