塩化セタルコニウム

Benzylhexadecyldimethylammonium chloride

HCID 31202CAS 122-18-9

基本情報

標準SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIKey
SXPWTBGAZSPLHA-UHFFFAOYSA-M
分子式
C25H46ClN
平均分子量
396.1 g/mol
単同位体質量
395.3318782

名称と識別子

優先名称
Benzylhexadecyldimethylammonium chloride
IUPAC
benzyl-hexadecyl-dimethylazanium chloride
現地名
塩化セタルコニウム
英語名
Benzyldimethylhexadecylammonium chloride
分子式
C25H46ClN
分子量
396.09

名称と別名

122-18-9Cetalkonium chlorideBenzyldimethylhexadecylammonium chlorideCetyl zephiranBanicolAcinolCdbacBicetoniumZettynCetyldimethylbenzylammonium chlorideBenzaletasTetraseptan
名称をさらに表示
ベンジルセチルジメチルアンモニウムクロリド水和物ベンジルジメチルヘキサデシルアンモニウムクロリドN,N-ジメチル-N-ベンジル-1-ヘキサデカンアミニウム·クロリドヘキサデシルベンジルジメチルアンモニウム·クロリドベンジルジメチルヘキサデシルアミニウム·クロリドN-ベンジル-N,N-ジメチル-1-ヘキサデカンアミニウム·クロリドセチルジメチルベンジルアンモニウムクロリドヘキサデシルジメチルベンジルアミニウム·クロリドヘキサデシルベンジルジメチルアミニウム·クロリドジメチルベンジル(ヘキサデシル)アミニウム·クロリドN-ベンジル-N,N-ジメチルヘキサデカン-1-アミニウム·クロリドベンジルヘキサデシルジメチルアミニウム·クロリドセタルコニウムクロリドベンジル(ヘキサデシル)ジメチルアミニウム·クロリドN-ヘキサデシル-N,N-ジメチルベンゼンメタンアミニウム·クロリドセチルベンジルジメチルアミニウム·クロリドベンジルジメチル(ヘキサデシル)アミニウム·クロリドヘキサデシルジメチル(ベンジル)アミニウム·クロリドベンジルセチルジメチルアミニウム·クロリドジメチル(ベンジル)(ヘキサデシル)アミニウム·クロリドHDBACBENZYLCETYLDIMETHYLAMMONIUM CHLORIDECKCcetalkoniumHEXADECYL DIMETHYL BENZYL AMMONIUM CHLORIDE1627
BaktoniumCetylonCetolDmcbacSpilanBenzylhexadecyldimethylammonium chlorideAmmonyx GDehyquart CBB

データベース識別子

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

物性

構造計算による物性

極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
17
重原子数
27

実験および物理化学的性質

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

物理化学的性質

融点
55 · 55-65 °C(lit.)
沸点
550.14 °C · 550.14°C (rough estimate)
比重(密度)
0.9089 · 0.9089 (rough estimate)
蒸気圧
0 Pa · 0Pa at 25℃
屈折率
1.6 · 1.6000 (estimate)
貯蔵温度
room temp

化学的性質

化学的特性Benzyldimethylhexadecylammonium chloride is white to creamy-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 4 件

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 件

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 件

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

毒性情報

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

法規制情報

Regulatory Information · 4 件

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.

安全データ

F
3
wgk
3
tsca
TSCA listed
rtecs
BO6822450
ridadr
UN 3077 9/PG 3
毒性
eye-rbt 150 mg MLD ARZNAD 9,349,59

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

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.

用途と製造

Uses · 2 件

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
応用分野 · 3 件

用途カチオン界面活性剤等。

使用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.

一般的な説明Benzyldimethylhexadecylammonium chloride is a cationic surfactant.

サプライヤー50 社

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]

補足説明

定義本品は、次の化学式で表される4級アンモニウム塩である。

関連反応

5 件

関連ノート

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