기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]- InChIKey
SXPWTBGAZSPLHA-UHFFFAOYSA-M- 분자식
- C25H46ClN
- 평균 분자량
- 396.1 g/mol
- 단동위원소 질량
- 395.3318782
이름 및 식별자
- 우선 이름
- Benzylhexadecyldimethylammonium chloride
- IUPAC
- benzyl-hexadecyl-dimethylazanium chloride
- 현지명
- 세탈코늄클로라이드
- 영어명
- Benzyldimethylhexadecylammonium chloride
- 분자식
- C25H46ClN
- 분자량
- 396.09
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
122-18-9- PubChem CID
- 31202
- ChEMBL
CHEMBL1644450- UNII
- 85474O1N9D
- EC Number
- 204-526-3
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 291
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 55 · 55-65 °C(lit.)
- 끓는 점
- 550.14 °C · 550.14°C (rough estimate)
- 밀도
- 0.9089 · 0.9089 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- room temp
- 용해도
- 100 mg/mL · DMSO: 100 mg/mL (252.47 mM)
- 물리적 상태
- 가루
- 색상
- 흰색에서 크림색을 띠는 흰색
- 수용성
- 적당히 용해됨
- Merck
- 14 · 14,2017
- BRN
- 3802341 · 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,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1
- InChIKey
- SXPWTBGAZSPLHA-UHFFFAOYSA-M
- SMILES
- [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
- LogP
- 3.022 at · 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
GHS Classification
Danger
H302 (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.
유해성 정보
Regulatory Information
Chemical: Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride
Hazard Traits - Hazard Trait Undefined;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient
Status: Active Update: 04-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23672
Cetalkonium 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.
Hazards Summary
A mild to moderate eye irritant; Oral 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 burns; Toxic 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 4;Acute toxicity (dermal) - category 4;Acute toxicity (inhalation) - category 2;Skin corrosion - category 1B
Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
Skin corrosion/irritation - Category 1;Serious eye damage/eye irritation - Category 1
Hazardous to the aquatic environment (Acute) - Category 1
독성 정보
규제 정보
Regulatory Information
Chemical: Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride
Hazard Traits - Hazard Trait Undefined;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient
Status: Active Update: 04-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23672
Cetalkonium 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.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BO6822450
- ridadr
- UN 3077 9/PG 3
- 독성
- eye-rbt 150 mg MLD ARZNAD 9,349,59
- HS 번호
- 29239000
- risk_code
- 36/37/38-50/53-50-34-21/22
- hazard_code
- Xi,N,C
- safety_code
- 61-45-36/37/39-26-60
- 위험 등급
- 8
- F 고인화성물질
- 3
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
용도 및 제조
Uses
A quaternary surfactant used as a germicide/fungicide in leather processing, textile dyeing, and silicone-based water repellents; [Merck Index]
Leather Tanning and Processing [Category: Industry];Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
응용 분야
용도Benzyldimethylhexadecylammonium 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 설명Benzyldimethylhexadecylammonium chloride is a cationic surfactant.
상·하류 제품 정보
상류 원료
공급사50 곳
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