トリメチルステアリルアンモニウム クロリド
Stearyltrimethylammonium chloride
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基本情報
- CAS
112-03-8- 標準SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]- InChIKey
VBIIFPGSPJYLRR-UHFFFAOYSA-M- 分子式
- C21H46N.Cl
- 平均分子量
- 348 g/mol
概要
Stearyltrimethylammonium chloride is an organic molecular entity.
名称と識別子
- 優先名称
- Stearyltrimethylammonium chloride
- IUPAC
- trimethyl(octadecyl)azanium chloride
- 現地名
- トリメチルステアリルアンモニウム クロリド
- 英語名
- Trimethylstearylammonium Chloride
- 分子式
- C21H46ClN
- 分子量
- 348.06
名称と別名
112-03-8Trimethylstearylammonium chlorideStacCation ABAliquat 7Stearyltrimethylammonium chlorideNissan cation ABQuaternium-10Arquad 18Stearyl trimethyl ammonium chlorideArquad 18-50Monostearyl trimethyl ammonium chloride
名称をさらに表示
トリメチルステアリルアンモニウム クロリドN,N,N-トリメチル-1-オクタデカンアミニウムトリメチル(オクタデシル)アミニウムトリメチルオクタデシルアミニウム·クロリドトリメチルオクタデシルアンモニウムオクタデシルトリメチルアミニウムアルクアッド18ステアリルトリメチルアンモニウムクロリドステアリルトリメチルアミニウムアリクアット7ステアリルトリメチルアミニウム·クロリドトリメチルステアリルアンモニウムトリメチルステアリルアンモニムクロリドオクタデシルトリメチルアンモニウムアリクワット7オクタデシルトリメチルアミニウム·クロリドN,N,N-トリメチルオクタデカン-1-アミニウム·クロリドトリメチルステアリルアミニウム·クロリドオクタ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-1-オクタデカンアミニウム·クロリド1831Steartrimonium chlorideOTACOctadecy trimethyl ammonium chlorideTC-8
N,N,N-Trimethyl-1-octadecanaminium chlorideCZ70647U92trimethyl(octadecyl)azanium chlorideRefChem:871332N,N,N-trimethyloctadecan-1-aminium chlorideTrimethyloctadecylammonium chlorideOCTADECYLTRIMETHYLAMMONIUM CHLORIDE1-Octadecanaminium, N,N,N-trimethyl-, chloride
データベース識別子
- CAS
112-03-8- PubChem CID
- 8155
- DTXSID
DTXSID1026902- ChEMBL
CHEMBL118745- ChEBI
CHEBI:81710- UNII
- CZ70647U92
- EC Number
- 203-929-1
物性
構造計算による物性補完中
- 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
- 23
- 形式電荷
- 0
- 複雑度
- 204
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Steartrimonium Chloride) -> CIR (Cosmetic Ingredient Review)
Preservative; Hair conditioning
Physical DescriptionCBI; Large Crystals
物理化学的性質
- 沸点
- 249 ℃[at · 249℃[at 101 325 Pa]
- 比重(密度)
- 0.91 · 0.91[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 外見
- powder to crystal
- 色
- White
- PH
- 5.5 · 5.5-8.5 (20℃, 0.05% in H2O)
- 水溶解度
- 1.759 mg/L · 水に可溶 1.759 mg/L @ 25°C.
- BRN
- 3917847 · 3917847
- 安定性
- 安定。強力な酸化剤とは相容れない。
- 化粧品成分の機能
- 防腐剤ヘアコンディショニング帯電防止
- InChI
- 1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
- InChIKey
- VBIIFPGSPJYLRR-UHFFFAOYSA-M
- SMILES
- [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C
- LogP
- 3.61 at · 3.61 at 25℃
- CAS データベース
- 112 · 112-03-8(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1-Octadecanaminium, N,N,N-trimethyl-, chloride (112-03-8)
化学的性質
化学的特性solid
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
This chemical does not meet GHS hazard criteria for 3.7% (10 of 268) of reports.
Danger
H302 (88.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P262, 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, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 268 reports by companies from 19 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
Chemical: 1-Octadecanaminium, N,N,N-trimethyl-, chloride
1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octadecanaminium, 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: 21-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10127
Octadecyltrimethylammonium 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.
Other Safety InformationIMAP assessments - Cationic surfactants: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (88.1%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
毒性情報
Health EffectsQuaternium-10 may react to produce nitrosamines, which are believed to be carcinogenic. (L1890)
Exposure RoutesOral (A2880) ; inhalation (A2880) ; dermal (L1889)
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...Steartrimonium Chloride...
Safe for use in cosmetics, with qualifications
While quaternium-10 itself is not toxic, it is a nitrosating agent. Nitrosating agents may decompose and/or react to cause nitrosamine contamination. Nitrosamines are produced from secondary amines and amides in the presence of nitrite ions and are believed to be carcinogenic. Once in the body, nitrosamines are activated by cytochrome P-450 enzymes. They are then believed to induce their carcinogenic effects by forming DNA adducts at the N- and O-atoms. (L1889, L1890, A2878, A2879, A2880)
Carcinogen ClassificationNot listed by IARC. Certain nitrosamines are classified by IARC as either probably or possibly carcinogenic to humans (Groups 2A and 2B, respectively). (L135)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BT1750000
- ridadr
- UN1759
- hs_code
- 29239000
- risk_code
- 20/21/22-36/37/38-21/22
- 化審法
- (2)-184, (9)-1971
- hazard_code
- Xn
- safety_code
- 26-36/37/39-37/39-36/37
- hazard_class
- 8
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1C
- ストレージクラス
- 8B - Non-combustible corrosive hazardous materials
化学と産業
薬理情報
Metabolism/MetabolitesNitrosamines can enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. (A2878, A2879)
用途と製造
Uses
CIR ingredient: Steartrimonium Chloride
Quaternium-10 is a quaternary ammonium salt found in numerous cosmetics. (L1890)
U.S. Production2023: <75,000 lb
Household ProductsInformation on 43 consumer products that contain Steartrimonium chloride in the following categories is provided:
Use ClassificationCosmetics -> Preservative; Hair conditioning
General Manufacturing Information1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1): ACTIVE
応用分野
用途コンデショニング剤原料,帯電防止剤 (NITE CHRIP)
使用Emulsion (main components are high polymeric and cyclic silicones); forms a protective film to coat split ends; conditioning agent for rinses and shampoos; glazing agent for hair.
上流・下流製品情報
上流原料
下流製品
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
12 件
化合物ノート
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