基本情報
- CAS
1119-94-4- 標準SMILES
CCCCCCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
XJWSAJYUBXQQDR-UHFFFAOYSA-M- 分子式
- C15H34N.Br
- 平均分子量
- 308.34 g/mol
概要
Dodecyltrimethylammonium bromide is a bromide salt and a quaternary ammonium salt. It has a role as a surfactant. It contains a dodecyltrimethylammonium ion.
名称と識別子
- 優先名称
- Dodecyltrimethylammonium bromide
- IUPAC
- dodecyl(trimethyl)azanium bromide
- 現地名
- ドデシルトリメチルアンモニウム ブロミド
- 英語名
- Dodecyltrimethylammonium Bromide
- 分子式
- C15H34BrN
- 分子量
- 308.34
名称と別名
名称をさらに表示
データベース識別子
- CAS
1119-94-4- PubChem CID
- 14249
- DTXSID
DTXSID5044366- ChEMBL
CHEMBL109873- ChEBI
CHEBI:282662- UNII
- 6IC8NZ97S2
- EC Number
- 214-290-3
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
- 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
Cosmetics
Cosmetic ingredients (Laurtrimonium Bromide) -> CIR (Cosmetic Ingredient Review)
Hair conditioning; Antistatic; Preservative
Physical Description
Dry Powder
White to light yellow odorless powder; Hygroscopic; [Acros Organics MSDS]
物理化学的性質
- 融点
- 246 °C · 246 °C (dec.)(lit.)
- 比重(密度)
- 1.1566 · 1.1566 (rough estimate)
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 屈折率
- 1.526 · 1.5260 (estimate)
- 闪点
- 246 °C · 246°C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 2 O: · H2O: 0.1M at20℃、透明、無色
- 外見
- 粉
- 色
- 白色~やや黄色
- 由来生物
- synthetic (oragnic)
- 水溶解度
- 溶ける
- BRN
- 3597463 · 3597463
- 主な用途
- 微生物学
- 化粧品成分の機能
- ヘアコンディショニング防腐剤
- InChI
- 1S/C15H34N.BrH/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
- XJWSAJYUBXQQDR-UHFFFAOYSA-M
- SMILES
- [Br-].CCCCCCCCCCCC[N+](C)(C)C
- CAS データベース
- 1119 · 1119-94-4(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1-Dodecanaminium, N,N,N-trimethyl-, bromide (1119-94-4)
化学的性質
化学的特性white to slightly yellow powder
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (2 of 89) of reports.
Danger
H301 (20.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: 1-Dodecanaminium, N,N,N-trimethyl-, bromide
1-Dodecanaminium, N,N,N-trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanaminium, N,N,N-trimethyl-, bromide (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)
REACH registered substance: Dodecyltrimethylammonium bromide (EC: 214-290-3)
1-Dodecanaminium, N,N,N-trimethyl-, bromide: 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
Causes somnolence and dermatitis in dermal lethal-dose studies of rabbits; Causes other changes in lungs, thorax, or respiration in intravenous lethal-dose studies of mice and rats; [RTECS] Oral LD50 (rat) = 200-1,000 mg/kg; An irritant that may cause serious eye injury; Harmful by ingestion, inhalation, and skin absorption; [Acros Organics MSDS]
Hazard Classes and Categories
Acute Tox. 3 (20.2%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 3
毒性情報
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 Bromide...
Safe for use in cosmetics, with qualifications
安全データ
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BQ3195000
- ridadr
- UN3077
- 毒性
- LD50 orally in Rabbit: 200 - 1000 mg/kg
- hs_code
- 29239000
- risk_code
- 36/37/38-22-50/53
- 化審法
- (2)-184, (9)-1971 優先評価化学物質
- hazard_code
- Xi,Xn,N
- safety_code
- 26-36-37/39-61-60
- hazard_class
- 9
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
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.
用途と製造
General Manufacturing Information
Paint and Coating Manufacturing
1-Dodecanaminium, N,N,N-trimethyl-, bromide (1:1): ACTIVE
応用分野
使用Dodecyltrimethylammonium Bromide is a quaternary ammonium salt useful as paint strippers, foaming stabilizers, and bactericidal lotions.
一般的な説明Dodecyltrimethylammonium bromide is a quaternary ammonium surfactant.
調製方法
純化方法Purify the salt by repeated crystallisation from acetone. Wash it with diethyl ether and dry it in a vacuum oven at 60o [Dearden & Wooley J Phys Chem 91 2404 1987]. [Beilstein 4 IV 798.]
上流・下流製品情報
上流原料
サプライヤー100 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。
定義ChEBI: A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen.
関連反応
化合物ノート
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