N-十六烷基-N,N-二甲基苄基氯化铵

Benzylhexadecyldimethylammonium chloride

HCID 31202CAS 122-18-9

基本信息

标准SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIKey
SXPWTBGAZSPLHA-UHFFFAOYSA-M
分子式
C25H46ClN
平均分子量
396.1 g/mol
单同位素质量
395.3318782

名称与标识

首选名称
Benzylhexadecyldimethylammonium chloride
IUPAC
benzyl-hexadecyl-dimethylazanium chloride
中文名
西他氯铵
英文名
Benzyldimethylhexadecylammonium chloride
分子式
C25H46ClN
分子量
396.09

名称与别名

122-18-9Cetalkonium chlorideBenzyldimethylhexadecylammonium chlorideCetyl zephiranBanicolAcinolCdbacBicetoniumZettynCetyldimethylbenzylammonium chlorideBenzaletasTetraseptan
展开更多名称
消妥西他氯西他氯铵西他氯胺十六烷基苄基二苯扎氯铵杂质3玉米醇相关化合物2氯化二甲基苄基十六銨二甲基苄胺氯代十六烷氯化二甲基苄基十六铵HDBACBENZYLCETYLDIMETHYLAMMONIUM CHLORIDECKCcetalkoniumHEXADECYL DIMETHYL BENZYL AMMONIUM CHLORIDE1627
BaktoniumCetylonCetolDmcbacSpilanBenzylhexadecyldimethylammonium chlorideAmmonyx GDehyquart CBB

数据库标识

CAS
122-18-9
PubChem CID
31202
ChEMBL
CHEMBL1644450
UNII
85474O1N9D
EC Number
204-526-3

性质

结构计算性质

极性表面积
0 Ų
氢键供体
0
氢键受体
1
可旋转键
17
重原子
27

实验与物化性质

Physical DescriptionSolid; [Merck Index] White powder; [Alfa Aesar MSDS]

物理化学性质

熔点
55 · 55-65 °C(lit.)
沸点
550.14 °C · 550.14°C (rough estimate)
密度
0.9089 · 0.9089 (rough estimate)
蒸气压
0 Pa · 0Pa at 25℃
折射率
1.6 · 1.6000 (estimate)
储存条件
room temp

安全与法规

GHS分类

GHS Classification · 6 条

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.

危害信息

Regulatory Information · 4 条

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.

Other Safety InformationEvaluation - Benzalkonium halides
Hazards Summary · 1 条

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 · 5 条

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

毒理信息

Adverse EffectsDermatotoxin - Skin burns.;Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

法规信息

Regulatory Information · 4 条

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.

安全数据

F
3
wgk
3
tsca
TSCA listed
毒性
eye-rbt 150 mg MLD ARZNAD 9,349,59
RTECS号
BO6822450
危险等级
8

毒性防护

急性毒性口服-大鼠 LD: >500 毫克/公斤

刺激数据眼睛-兔子 150 毫克 轻度

包装储运 · 3 条

可燃性危险特性可燃; 燃烧产生有毒氮氧化物和氯化物烟雾

储运特性通风低温干燥

灭火剂干粉,泡沫,沙土,二氧化碳, 雾状水

化学与工业

药理信息

MeSH Pharmacological Classification · 2 条

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.

用途与制造

Uses · 2 条

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]

Use ClassificationCosmetics -> Preservative
General Manufacturing InformationBenzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride (1:1): ACTIVE

应用领域

用途应用于催化剂,乳化剂,消毒剂,杀菌基,抗静电剂等

试剂价格

HY-B1597R · 25 mg
西他氯铵Cetalkonium chloride (Standard) — 350元
HY-B1597R · 50 mg
西他氯铵Cetalkonium chloride (Standard) — 530元

供应商50 家

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州埃肯新材料有限公司15258847994
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

相关反应

5 条

关联笔记

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