Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
헥사데실트리메틸암모늄 브롬
헥사데실트리메틸암모늄브롬 · 세트리모늄브로마이드 · CTAB · CETYLTRIMETHYLAMMONIUM BROMIDE · CETRIMONIUM BROMIDE · HEXADECYLTRIMETHYLAMMONIUM BROMIDE · CTMAB · HTAB
식별자 및 물리적 특성
| CAS No. | 57-09-0 |
|---|---|
| 분자식 | C19H42N.Br |
| 평균 분자량 | 364.4 g/mol |
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-] |
| InChIKey | CXRFDZFCGOPDTD-UHFFFAOYSA-M |
| PubChem CID | 5974 |
| ChEMBL | CHEMBL307346 |
| ChEBI | CHEBI:3567 |
| EC No. | 200-311-3 |
| DTXSID | DTXSID5037028 |
| 현지명 | 헥사데실트리메틸암모늄 브롬 |
화학 및 물리적 성질
| 극성 표면적 | 0 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 15 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 181 |
| 물질 분류 | Nitrogen Compounds -> Quaternary Amines |
| 화장품 | Cosmetics ingredient -> Conditioning/EmollientEmulsifierFragrancePreservative/StabilizerCosmetic ingredients (Cetrimonium Bromide) -> CIR (Cosmetic Ingredient Review) |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
| Physical Description | Dry PowderWhite powder[MSDSonline] |
| Collision Cross Section | 197.7 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 248-251 °C(lit.) |
| 밀도 | 1.1107 (rough estimate) |
| 굴절률 | 1.5260 (estimate) |
| 인화점 | 244 °C |
| 저장 조건 | Store below +30°C. |
| 용해도 | H2O: 50 mg/mL |
| 물리적 상태 | 가루 |
| 색상 | 하얀색 |
| pH | 5.0-7.0 (25℃, 0.1M in H2O) |
| 냄새 | 냄새 없는 |
| 용해도 | 13g/L(20℃) |
| Merck | 14,2025 |
| BRN | 3598189 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. 습기로부터 보호하십시오. |
| 화장품 원료 기능 | 항균 방부제대전방지제계면활성제 - 유화제항균 |
| InChI | 1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H31H/q+1/p-1 |
| InChIKey | LZZYPRNAOMGNLH-UHFFFAOYSA-M |
| SMILES | [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C |
| EPA | Cetyl trimethyl ammonium bromide (57-09-0) |
화학적 성질
White powder. Soluble in water, alcohol, and chloroform.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.6% (5 of 823) of reports.DangerH302 (97%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 823 reports by companies from 38 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|---|
| 규제 정보 | Chemical: 1-Hexadecanaminium, N,N,N-trimethyl-, bromideHazard Traits - Hazard Trait UndefinedRegulation (EC) No 1935/2004 (amended)1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanaminium, N,N,N-trimethyl-, bromide (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: 30-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10369Cetrimonium bromide: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Cationic surfactants: Human health tier II assessment |
| 유해성 요약 | Corrosive to skin and eyesMay cause skin sensitization[eChemPortal: ERMA] Allergic contact dermatitis is infrequently documented[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 (97%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4 |
| Protective Action Criteria (PAC) | 1.2 [mg/m3]14 [mg/m3]81 [mg/m3] |
| 유해 작용 | Neurotoxin - Other CNS neurotoxin |
| 독성 요약 | 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...Cetrimonium Bromide...Safe for use in cosmetics, with qualifications |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BQ7875000 |
| 운송 번호(UN) | UN 3077 9/PG 3 |
| 독성 | LD50 in mice, rats (mg/kg): 32.0, 44.0 i.v. (Isomaa, Bjondahl) |
| 관세 코드 | 29239000 |
| 위험 문구(R) | 22-37/38-41-50-50/53-36/37/38-48/22 |
| 위험 표시 | Xn,N |
| 안전 문구(S) | 26-39-61-37/39-60-36 |
| 포장분류 | III |
| 위험 등급 | 9Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT RE 2 OralSTOT SE 3 |
| 기존화학 물질 | KE-34534 |
| F 고인화성물질 | 3 |
| 저장 분류 | 11 - Combustible Solids |
| 함량 및 규제정보 | 물질구분: 유독물질혼합물(제품)함량정보: 수산화 세트리모늄[Cetrimonium hydroxide]과 세트리모늄 염류[Cetrimonium, salts] 및 이를 25% 이상 함유한 혼합물 |
| 유해화학물질 필터링 | 2000-1-509 |
용도
용도
antiinfectant
일반 설명
Hexadecyltrimethylammonium bromide is a titrant for the potentiometric titration of perchlorate with ionselective electrodes.