ベンゾドデシニウムクロリド
Benzododecinium Chloride
基本情報
- CAS
139-07-1- 標準SMILES
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]- InChIKey
JBIROUFYLSSYDX-UHFFFAOYSA-M- 分子式
- C21H38N.Cl
- 平均分子量
- 340 g/mol
概要
Benzododecinium chloride is the organic chloride salt of benzododecinium. It has antiseptic and disinfectant properties, and used as a preservative in eye drop formulations. It has a role as a surfactant, an antiseptic drug, a disinfectant and an antifouling biocide. It is a quaternary ammonium salt and an organic chloride salt. It contains a benzododecinium.
名称と識別子
- 優先名称
- Benzododecinium Chloride
- IUPAC
- benzyl-dodecyl-dimethylazanium chloride
- 現地名
- ベンゾドデシニウムクロリド
- 英語名
- Dodecyldimethylbenzylammonium chloride
- 分子式
- C21H38ClN
- 分子量
- 339.99
名称と別名
139-07-1N-Benzyl-N,N-dimethyldodecan-1-aminium chlorideBenzododecinium chlorideBenzyldimethyldodecylammonium chlorideCequartyl ABenzyldodecyldimethylammonium chlorideTriton K60Lauryldimethylbenzylammonium chloridedodecyldimethylbenzylammonium chlorideCaswell No. 073ACaswell No. 416CDimethyldodecylbenzylammonium chloride
名称をさらに表示
ドデシルジメチルベンジルアミニウム·クロリドN,N-ジメチル-N-ベンジル-1-ドデカンアミニウム·クロリドドデシルジメチル(ベンジル)アミニウム·クロリドN-ベンジル-N,N-ジメチル-1-ドデカンアミニウム·クロリドN,N-ジメチル-N-ドデシルベンゼンメタンアミニウム·クロリドドデシルジメチルベンジルアンモニウムクロリドジメチルベンジルドデシルアミニウム·クロリドベンジルドデシルジメチルアンモニウム·クロリドド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ドデシルアミニウム·クロリドドデシルベンザルコニウムクロリドドデシルベンジルジメチルアミニウム·クロリドN-ドデシル-N,N-ジメチルベンゼンメタンアミニウム·クロリドベンジルドデシルジメチルアミニウム·クロリドベンジルジメチルドデシルアンモニウムクロリドベンジルジメチルラウリルアミニウム·クロリドベンジル ドデシル ジメチルアモニウム クロライドベンジルドデシルジメチルアンモニウム＝クロリド
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
- 13
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 240
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Quaternary Amines
CosmeticsPreservative; Antistatic
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Biocide
物理化学的性質
- 融点
- 60 °C · ~60 °C
- 沸点
- 162.7 ℃[at · 162.7℃[at 101 325 Pa]
- 比重(密度)
- 1.03 · 1.03[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- 866 g/L · 866g/L in organic solvents at 20 ℃
- 外見
- Solid
- 色
- White to Off-White
- 水溶解度
- 2 g/L · 2g/L at 20℃
- BRN
- 3921689 · 3921689
- 安定性
- Hygroscopic
- 化粧品成分の機能
- 帯電防止防腐剤
- InChI
- InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302+H312 (33.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
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 313 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Regulatory Information
Chemical: Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride
2004/129/EC
Status: Active Update: 29-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30313
N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Benzalkonium halides
Hazards Summary
Mild skin irritant; Ingestion hazard; [EPA OHM/TADS] Occupational asthma in a pharmacist confirmed by broncho-provocation testing and PEF; [Malo] Allergic contact dermatitis is infrequently documented for quaternary ammonium compounds; [Marks, p. 266] Quaternary ammonium compounds have curare-like properties when concentrated solutions are ingested; Affected patients may have methemoglobinemia and hemolysis and die within 1-3 hours; Elevated liver function tests were reported; Concentrated solutions can cause burns; No data on carcinogenicity or teratogenicity; [IPCS-PIMs]
Hazard Classes and Categories
Acute Tox. 4 (99.7%)
Acute toxicity (ingestion) - category 4
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.
Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)
用途と製造
Uses
Used in contact lens solutions, eye solutions, cosmetics, and mouthwashes; also used in medical and dental cold sterilization solutions; [Marks, p. 236] Quarternary ammonium compounds are also used as algaecides/slimicides (swimming pools, industrial water reservoirs, and farm ponds), antiseptics for cleaning wounds, antistatic agents for textiles, softeners for paper products, and pigment dispersers; [IPCS-PIMs]
Using Disinfectants or Biocides [Category: Clean]
Use ClassificationCosmetics -> Preservative; Antistatic
General Manufacturing InformationBenzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (1:1): ACTIVE
応用分野
使用Quaternary ammonium composition to treat herpes, pseudomonas, staph, hepatitis and other infectious diseases.
上流・下流製品情報
上流原料
関連反応
3 件
化合物ノート
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