Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
세탈코늄클로라이드
세탈코늄클로라이드 · CETALKONIUM CHLORIDE · HDBAC · BENZYLCETYLDIMETHYLAMMONIUM CHLORIDE · BENZYLHEXADECYLDIMETHYLAMMONIUM CHLORIDE · CKC · acinol · cetalkonium
식별자 및 물리적 특성
| CAS No. | 122-18-9 |
|---|---|
| 분자식 | C25H46ClN |
| 평균 분자량 | 396.1 g/mol |
| 단동위원소 질량 | 395.3318782 g/mol |
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] |
| InChIKey | SXPWTBGAZSPLHA-UHFFFAOYSA-M |
| PubChem CID | 31202 |
| ChEMBL | CHEMBL1644450 |
| EC No. | 204-526-3 |
| 현지명 | 세탈코늄클로라이드 |
화학 및 물리적 성질
| 극성 표면적 | 0 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 17 |
| 무거운 원자 수 | 27 |
| 형식 전하 | 0 |
| 복잡도 | 291 |
| Physical Description | Solid[Merck Index] White powder[Alfa Aesar MSDS] |
| 녹는점 | 55-65 °C(lit.) |
| 끓는 점 | 550.14°C (rough estimate) |
| 밀도 | 0.9089 (rough estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.6000 (estimate) |
| 저장 조건 | room temp |
| 용해도 | DMSO: 100 mg/mL (252.47 mM) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 크림색을 띠는 흰색 |
| 용해도 | 적당히 용해됨 |
| Merck | 14,2017 |
| BRN | 3802341 |
| 화장품 원료 기능 | 항균대전방지제항균 방부제 |
| InChI | 1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H31H/q+1/p-1 |
| InChIKey | SXPWTBGAZSPLHA-UHFFFAOYSA-M |
| SMILES | [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 |
| LogP(분배 계수) | 3.022 at 25℃ |
| EPA | Benzyl hexadecyl dimethyl ammonium chloride (122-18-9) |
화학적 성질
Benzyldimethylhexadecylammonium chloride is white to creamy-white crystalline powder
안전 및 규제
| GHS 분류 | DangerH302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (77%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (96%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (18.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H400 (96.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (17.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]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 126 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chlorideHazard Traits - Hazard Trait UndefinedAuthoritative List - CECBP - Priority ChemicalsReport - if used as a fragrance or flavor ingredientStatus: Active Update: 04-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23672Cetalkonium chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 기타 안전 정보 | Evaluation - Benzalkonium halides |
| 유해성 요약 | A mild to moderate eye irritantOral lethal-dose (rat) >500 mg/kg[RTECS] Quaternary ammonium compounds are corrosive in concentrated solutions and may cause skin sensitization from repeated occupational exposure[Reference #1] Causes burnsToxic by ingestion and skin absorption[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (98.4%)Acute Tox. 4 (77%)Skin Corr. 1A (96%)Eye Dam. 1 (18.3%)Aquatic Acute 1 (96.8%)Aquatic Chronic 1 (17.5%)Acute toxicity (ingestion) - category 4Acute toxicity (dermal) - category 4Acute toxicity (inhalation) - category 2Skin corrosion - category 1BHazardous to the aquatic environment (Acute) - Category 1Hazardous to the aquatic environment (Long-term) - Category 1Skin corrosion/irritation - Category 1Serious eye damage/eye irritation - Category 1 |
| 유해 작용 | Dermatotoxin - Skin burns.Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BO6822450 |
| 운송 번호(UN) | UN 3077 9/PG 3 |
| 독성 | eye-rbt 150 mg MLD ARZNAD 9,349,59 |
| 관세 코드 | 29239000 |
| 위험 문구(R) | 36/37/38-50/53-50-34-21/22 |
| 위험 표시 | Xi,N,C |
| 안전 문구(S) | 61-45-36/37/39-26-60 |
| 위험 등급 | 8Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B |
| F 고인화성물질 | 3 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
Benzyldimethylhexadecylammonium chloride is used in leather processing, textile dyeing. A mildew preventive in silicone-based water repellents. Compatible with many nonionic detergents. Active in moderately alkaline solutions.
일반 설명
Benzyldimethylhexadecylammonium chloride is a cationic surfactant.