トリメチルステアリルアンモニウムクロリド

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

https://huagongshe.com/ja/chemical/8155

識別子と物理属性

CAS No.	112-03-8
分子式	C21H46N.Cl
平均分子量	348 g/mol
SMILES	CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChIKey	VBIIFPGSPJYLRR-UHFFFAOYSA-M
PubChem CID	8155
ChEMBL	CHEMBL118745
ChEBI	CHEBI:81710
EC No.	203-929-1
DTXSID	DTXSID1026902
現地名	トリメチルステアリルアンモニウムクロリド

化学・物理的性質

極性表面積	0
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
化粧品	Cosmetic ingredients (Steartrimonium Chloride) -> CIR (Cosmetic Ingredient Review)PreservativeHair conditioning
Physical Description	CBILarge Crystals
沸点	249℃[at 101 325 Pa]
密度	0.91[at 20℃]
蒸気圧	0Pa at 25℃
貯蔵条件	Inert atmosphere,Room Temperature
外観・状態	powder to crystal
色	White
pH	5.5-8.5 (20℃, 0.05% in H2O)
溶解度	水に可溶 1.759 mg/L @ 25°C.
BRN	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/h5-21H2,1-4H31H/q+1/p-1
InChIKey	VBIIFPGSPJYLRR-UHFFFAOYSA-M
SMILES	[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C
LogP（分配係数）	3.61 at 25℃
CAS データベース	112-03-8(CAS DataBase Reference)
EPAの化学物質情報	1-Octadecanaminium, N,N,N-trimethyl-, chloride (112-03-8)

化学的特性

solid

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 3.7% (10 of 268) of reports.DangerH302 (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.
規制情報	Chemical: 1-Octadecanaminium, N,N,N-trimethyl-, chloride1-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/10127Octadecyltrimethylammonium 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.
その他の安全情報	IMAP assessments - Cationic surfactants: Human health tier II assessment
Hazard Classes and Categories	Acute Tox. 4 (88.1%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4
健康影響	Quaternium-10 may react to produce nitrosamines, which are believed to be carcinogenic. (L1890)
暴露経路	Oral (A2880)inhalation (A2880)dermal (L1889)
毒性の概要	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...Steartrimonium Chloride...Safe for use in cosmetics, with qualificationsWhile 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)

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.