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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 291
実験および物理化学的性質
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
- 溶解性
- 100 mg/mL · DMSO: 100 mg/mL (252.47 mM)
- 外見
- 粉
- 色
- 白色からクリーミーホワイト
- 水溶解度
- 適度に溶ける
- Merck
- 14 · 14,2017
- BRN
- 3802341 · 3802341
- 化粧品成分の機能
- 抗菌剤帯電防止防腐剤
- 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℃
- CAS データベース
- 122 · 122-18-9(CAS DataBase Reference)
- EPAの化学物質情報
- Benzyl hexadecyl dimethyl ammonium chloride (122-18-9)
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
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
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
毒性情報
法規制情報
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.
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
- hs_code
- 29239000
- risk_code
- 36/37/38-50/53-50-34-21/22
- 化審法
- (3)-2694
- hazard_code
- Xi,N,C
- safety_code
- 61-45-36/37/39-26-60
- hazard_class
- 8
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
化学と産業
薬理情報
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.
用途と製造
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]
応用分野
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.
上流・下流製品情報
上流原料
サプライヤー50 社
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
関連ノート
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