Dodecyltrimethylammonium chloride (HCID 8152)

概要

The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Laurtrimonium Chloride...

名称と識別子

優先名称: Dodecyltrimethylammonium chloride
IUPAC: dodecyl(trimethyl)azanium chloride
現地名: n-ドデシルトリメチルアンモニウムクロリド
英語名: Dodecyltrimethylammonium chloride
分子式: C15H34ClN
分子量: 263.89

名称と別名

Dodecyltrimethylammonium chloride112-00-5DODECYL TRIMETHYL AMMONIUM CHLORIDEDTACAlicopLauryltrimethylammonium chlorideLaurtrimonium chlorideCation BBAliquat 4Dehyquart LTCation FBNissan Cation BB

名称をさらに表示

n-ドデシルトリメチルアンモニウムクロリドドデシルトリメチルアンモニウムクロリドドデシルトリメチルアンモニウム·クロリドN,N,N-トリメチルドデカン-1-アミニウム·クロリドN,N,N-トリメチル-1-ドデカンアミニウム·クロリドトリメチルドデシルアミニウム·クロリドアリクアット4ラウリルトリメチルアミニウム·クロリドドデシルトリメチルアミニウム·クロリドアリクワット4アルクアッド12-50塩化ドデシルトリメチルアンモニウムアルクアッド12ラウリルトリメチルアンモニウムクロリド塩化ドデシルトリメチルアンモニウムクロライド塩化物塩化N-ドデシルトリメチルアンモニウム塩化ラウリルトリメチルアンモニウムドデシルトリメチルアンモニウムクロリドラウリルトリモニウムクロリドドデシルトリメチルアンモニウムクロリド [IPC試薬]LTACTRIMETHYLDODECYLAMMONIUM CHLORIDEN,N,N-Trimethyl-1-dodecanaminium chloride123Caliguat4arguad12

n-Dodecyltrimethylammonium chlorideArquad 12Arquad 12DTrimethyllaurylammonium chlorideCatiogen LNissan Cation FBQuartamin 24PQuartamin 24W

データベース識別子

CAS: 112-00-5
PubChem CID: 8152
DTXSID: DTXSID1026900
ChEMBL: CHEMBL1884887
UNII: A81MSI0FIC
EC Number: 203-927-0

物性

構造計算による物性

極性表面積: 0 Å²
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: 11
重原子数: 17
形式電荷: 0
複雑度: 135

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Quaternary Amines

Cosmetics · 2 件

Cosmetic ingredients (Laurtrimonium Chloride) -> CIR (Cosmetic Ingredient Review)

Antistatic; Preservative; Emulsifying

Vapor Pressure0.00000001 [mmHg]

Physical Description · 2 件

CBI; Liquid

Solid; [EPA ChAMP: Initial Risk-Based Prioritization Document] White to light yellow powder and chunks; Hygroscopic; [Acros Organics MSDS]

物理化学的性質

融点: 37 °C · 37 °C
沸点: 412.12 °C · 412.12°C (rough estimate)
比重(密度): 0.9265 · 0.9265 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 20 · n20/D 1.426
闪点: 19 °C · 19 °C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 2 O: · H2O: 50 mg/mL 無色透明
外見: 粉末またはチャンク
色: 白色～淡黄色
PH: 4 to · 4.0 to 7.5(50 g/L, 25 ℃)
水溶解度: 溶ける
BRN: 3915951 · 3915951
安定性: 安定。強力な酸化剤とは相容れない。湿気から保護してください。
化粧品成分の機能: 防腐剤界面活性剤 - 乳化剤帯電防止
InChI: 1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
InChIKey: DDXLVDQZPFLQMZ-UHFFFAOYSA-M
SMILES: [Cl-].CCCCCCCCCCCC[N+](C)(C)C
LogP: 1.22 at · 1.22 at 25℃
表面張力: 860 · 860-1710mN/m at 52.78-105.56g/L and 25℃
CAS データベース: 112 · 112-00-5(CAS DataBase Reference)
EPAの化学物質情報: Dodecyl trimethyl ammonium chloride (112-00-5)

化学的性質

化学的特性white solid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.5% (12 of 476) of reports.

Danger

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 476 reports by companies from 28 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 4 件

Chemical: 1-Dodecanaminium, N,N,N-trimethyl-, chloride

1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 14-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24215

1-Dodecanaminium, N,N,N-trimethyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Cationic surfactants: Human health tier II assessment

Hazards SummaryIncreased liver weights (with corresponding histopathology) and increased ALT activity in repeated-dose oral studies of animals; [EPA ChAMP: Hazard Characterizations] An irritant; Harmful by ingestion; [Acros Organics MSDS]

Hazard Classes and Categories · 4 件

Acute Tox. 4 (87.2%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

Hazardous to the aquatic environment (Acute) - Category 1

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Toxicity Summary · 2 件

The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Laurtrimonium Chloride...

Safe for use in cosmetics, with qualifications

安全データ

F: 3-10
wgk: 3
tsca: TSCA listed
rtecs: JR2122500
ridadr: UN 3077 9/PG 3
毒性: LD50 orally in Rabbit: 200 - 1000 mg/kg
hs_code: 29239000
risk_code: 36/37/38-50-50/53-22-67-11
化審法: (2)-184, (9)-1971 優先評価化学物質
hazard_code: Xi,N,Xn,F
safety_code: 26-61-60-37/39-36-16
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 13 - Non Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.

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 · 3 件

CIR ingredient: Laurtrimonium Chloride

Typical uses of category members include surfactants, intermediates, anti-scaling agents, fabric softeners, multifunctional laundry detergents, antistatic sprays, germicides, deodorizers, emulsifiers, hair-care products, industrial lubricants, and corrosion inhibitors; [EPA ChAMP: Initial Risk-Based Prioritization Document]

Using Disinfectants or Biocides [Category: Clean]

U.S. Production2023: 400,000 - <550,000 lb

Consumer UsesCorrosion inhibitor

Industry UsesCBI

Household ProductsInformation on 5 consumer products that contain Laurtrimonium Chloride in the following categories is provided:

Use ClassificationCosmetics -> Antistatic; Preservative; Emulsifying

応用分野 · 3 件

用途有機合成原料。

使用Dodecyltrimethylammonium chloride belongs to quaternary ammonium salts,it is useful as paint strippers, foaming stabilizers, and bactericidal lotions.

一般的な説明Dodecyltrimethylammonium chloride is a cationic alkyltrimethylammonium chloride surfactant that can undergo micellization in aqueous solution. it is mainly used for the denaturation of proteins.

調製方法 · 1 件

純化方法Dissolve the chloride in MeOH, treat with active charcoal, filter and dry it in vacuo [Waldenburg J Phys Chem 88 1655 1984], or recrystallise it several times from 10% EtOH in acetone. It has also been repeatedly crystallised from EtOH/ether or MeOH. [Cella et al. J Am Chem Soc 74 2062 1952, Beilstein 4 IV 79.]