基本信息
- 标准SMILES
CCCCCCCCCCCC[N+](C)(C)C.[Cl-]- InChIKey
DDXLVDQZPFLQMZ-UHFFFAOYSA-M- 分子式
- C15H34N.Cl
- 平均分子量
- 263.89 g/mol
概述
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...
名称与标识
- 首选名称
- Dodecyltrimethylammonium chloride
- IUPAC
- dodecyl(trimethyl)azanium chloride
- 中文名
- 十二烷基三甲基氯化铵
- 英文名
- Dodecyltrimethylammonium chloride
- 分子式
- C15H34ClN
- 分子量
- 263.89
名称与别名
展开更多名称
数据库标识
- CAS
112-00-5- PubChem CID
- 8152
- DTXSID
DTXSID1026900- ChEMBL
CHEMBL1884887- UNII
- A81MSI0FIC
- EC Number
- 203-927-0
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
- 11
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 135
实验与物化性质
Cosmetics
Cosmetic ingredients (Laurtrimonium Chloride) -> CIR (Cosmetic Ingredient Review)
Antistatic; Preservative; Emulsifying
Physical Description
CBI; Liquid
Solid; [EPA ChAMP: Initial Risk-Based Prioritization Document] White to light yellow powder and chunks; Hygroscopic; [Acros Organics MSDS]
物理化学性质
- 熔点
- 37 °C · 37 °C
- 沸点
- 412.12 °C · 412.12°C (rough estimate)
- 密度
- 0.9265 · 0.9265 (rough estimate)
- 蒸气压
- 0 Pa · 0Pa at 25℃
- 折射率
- 20 · n20/D 1.426
- 闪点
- 19 °C · 19 °C
- 储存条件
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解度
- 2 O: · H2O: 50 mg/mL, clear, colorless
- 形态
- Powder or Chunks
- 颜色
- White to light yellow
- PH值
- 4 to · 4.0 to 7.5(50 g/L, 25 ℃)
- 水溶解性
- Soluble
- 敏感性
- Hygroscopic
- BRN
- 3915951 · 3915951
- 稳定性
- Stable. Incompatible with strong oxidizing agents. Protect from moisture.
- 化妆品成分功效
- PRESERVATIVESURFACTANT - EMULSIFYINGANTISTATIC
- 化妆品成分评估
- Dodecyltrimethylammonium chloride (112-00-5)
- 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℃
- 表面张力
- 860 · 860-1710mN/m at 52.78-105.56g/L and 25℃
- CAS 数据库
- 112 · 112-00-5(CAS DataBase Reference)
- EPA化学物质信息
- Dodecyl trimethyl ammonium chloride (112-00-5)
化学性质
本品有两种规格。有效物含量32%~35%时,外观浅黄色液体。凝固点-15℃。相对密度0.981 g/cm3。HLB值17.1。闪点(开杯)60℃。有效物含量49%~52%时,外观稠厚性液体。凝固点-12~-9℃。密度0.892 g/cm3。HLB值17.1。闪点(开杯)<27℃。表面张力(10%水溶液)33×10-3 N/cm。二者均与水混溶。化学性质稳定。耐热,耐光,耐强酸强碱。具有优良的渗透性、乳化性及抗静电及杀菌能力。
安全与法规
GHS分类
GHS Classification
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
危害信息
Regulatory Information
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
Hazard Classes and Categories
Acute Tox. 4 (87.2%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
Hazardous to the aquatic environment (Acute) - Category 1
毒理信息
Toxicity Summary
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
安全数据
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- 毒性
- LD50 orally in Rabbit: 200 - 1000 mg/kg
- RTECS号
- JR2122500
- 包装类别
- III
- 危险等级
- 6.1(b)
- 存储类别
- 13 - Non Combustible Solids
- 安全说明
- 26-61-60-37/39-36-16
- 海关编码
- 29239000
- 危险品标志
- Xi,N,Xn,F
- 危险性类别
- Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2
- 危险类别码
- 36/37/38-50-50/53-22-67-11
- 危险品运输编号
- UN 3077 9/PG 3
化学与工业
药理信息
MeSH Pharmacological Classification
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.
用途与制造
Uses
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]
General Manufacturing Information
Plastics Material and Resin Manufacturing
1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1): ACTIVE
应用领域
应用十二烷基三甲基氯化铵是一种阳离子表面活性剂,可用于形成纳米胶囊,具有化学稳定性好,耐热,耐光,耐强酸,耐强碱等特性,在工业生产中广泛地用作催化剂、乳化剂、杀菌剂、消毒剂、抗静电剂等。此外,该物质也可作乳胶工业的防粘剂和隔离剂等。
用途本品用作工农业杀菌剂。合成纤维的抗静电剂。钻凿深井时,用作抗高温油包水乳化泥浆的乳化剂,也可作乳胶工业的防粘剂和隔离剂等。
用途可作催化剂、乳化剂、杀菌剂、消毒剂、抗静电剂等
用途广泛用于工业水处理作杀菌灭藻剂等性能
用途可作催化剂、乳化剂、杀菌剂、消毒剂、抗静电剂等,用作阳离子表面活性剂
用途阳离子表面活性剂,应用于催化剂,乳化剂,消毒剂,杀菌基,抗静电剂等。
用途用作金属萃取剂,用于稀土元素的分离及铌、锑与铬的分离等;血样分析中用作溶血剂
制备方法
生产方法将430 kg十二烷基二甲基叔胺投入反应釜中,加入一定量异丙醇和水,用碱作催化剂,压力釜经置换空气后,逐渐升温通入111 kg氯甲烷,在0.2~0.3 MPa压力下反应4h。降温至常压后,出料灌装。
上下游产品信息
上游原料
试剂价格
- HY-W096983 · 100 g
- 十二烷基三甲基氯化铵DTAC,for IPC,≥99% — 100元
- HY-W096983 · 10 mM * 1 mL in DMSO
- 十二烷基三甲基氯化铵DTAC,for IPC,≥99% — 110元
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